Benzenesulfonyl compounds

Organosulfur compounds that consist of a benzene ring substituted with a sulfonyl group that is subsequently bonded to an organic functional group.

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3-Methylsulphonylaniline hydrochloride, 95%

CAS: 80213-28-1 Molecular Formula: C7H10ClNO2S Molecular Weight (g/mol): 207.67 MDL Number: MFCD00216487 InChI Key: ZMPXGSYLKFAGOV-UHFFFAOYSA-N Synonym: 3-methylsulfonyl aniline hydrochloride,3-methylsulfonylaniline hydrochloride,3-methanesulfonylaniline hydrochloride,3-methylsulphonyl aniline hydrochloride,3-methylsulphonylaniline hydrochloride,3-methylsulfonyl phenyl amine hydrochloride,3-methanesulfonyl-phenylamine hcl,3-methylsulfonyl phenyl amine hcl,3-methylsulfonyl anilinehydrochloride,3-methansulphonylaniline hydrochloride PubChem CID: 2735179 IUPAC Name: 3-methylsulfonylaniline;hydrochloride SMILES: [H+].[Cl-].CS(=O)(=O)C1=CC=CC(N)=C1

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Specifications

PubChem CID	2735179
CAS	80213-28-1
Molecular Weight (g/mol)	207.67
MDL Number	MFCD00216487
SMILES	[H+].[Cl-].CS(=O)(=O)C1=CC=CC(N)=C1
Synonym	3-methylsulfonyl aniline hydrochloride,3-methylsulfonylaniline hydrochloride,3-methanesulfonylaniline hydrochloride,3-methylsulphonyl aniline hydrochloride,3-methylsulphonylaniline hydrochloride,3-methylsulfonyl phenyl amine hydrochloride,3-methanesulfonyl-phenylamine hcl,3-methylsulfonyl phenyl amine hcl,3-methylsulfonyl anilinehydrochloride,3-methansulphonylaniline hydrochloride
IUPAC Name	3-methylsulfonylaniline;hydrochloride
InChI Key	ZMPXGSYLKFAGOV-UHFFFAOYSA-N
Molecular Formula	C7H10ClNO2S

2-(Methylsulfonyl)phenol, 98%

CAS: 27489-33-4 Molecular Formula: C₇H₈O₃S Molecular Weight (g/mol): 172.2 InChI Key: ZWTZHHHSRDUVRT-UHFFFAOYSA-N PubChem CID: 598998 IUPAC Name: 2-methylsulfonylphenol SMILES: CS(=O)(=O)C1=CC=CC=C1O

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Specifications

PubChem CID	598998
CAS	27489-33-4
Molecular Weight (g/mol)	172.2
SMILES	CS(=O)(=O)C1=CC=CC=C1O
IUPAC Name	2-methylsulfonylphenol
InChI Key	ZWTZHHHSRDUVRT-UHFFFAOYSA-N
Molecular Formula	C₇H₈O₃S

Diphenyl sulfone, 99+%

CAS: 127-63-9 Molecular Formula: C12H10O2S Molecular Weight (g/mol): 218.27 MDL Number: MFCD00007548 InChI Key: KZTYYGOKRVBIMI-UHFFFAOYSA-N Synonym: diphenyl sulfone,phenyl sulfone,sulfonyldibenzene,diphenylsulfone,sulfobenzide,diphenyl sulphone,benzene, 1,1'-sulfonylbis,sulfone, diphenyl,1,1'-sulfonyldibenzene,phenyl sulphone PubChem CID: 31386 ChEBI: CHEBI:78360 IUPAC Name: benzenesulfonylbenzene SMILES: O=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	31386
CAS	127-63-9
Molecular Weight (g/mol)	218.27
ChEBI	CHEBI:78360
MDL Number	MFCD00007548
SMILES	O=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	diphenyl sulfone,phenyl sulfone,sulfonyldibenzene,diphenylsulfone,sulfobenzide,diphenyl sulphone,benzene, 1,1'-sulfonylbis,sulfone, diphenyl,1,1'-sulfonyldibenzene,phenyl sulphone
IUPAC Name	benzenesulfonylbenzene
InChI Key	KZTYYGOKRVBIMI-UHFFFAOYSA-N
Molecular Formula	C12H10O2S

4-(Methanesulfonyl)phenylboronic acid, 98+%

CAS: 149104-88-1 Molecular Formula: C7H9BO4S Molecular Weight (g/mol): 200.02 MDL Number: MFCD01630820 InChI Key: VDUKDQTYMWUSAC-UHFFFAOYSA-N Synonym: 4-methylsulfonyl phenylboronic acid,4-methanesulfonyl phenylboronic acid,4-methylsulfonyl phenyl boronic acid,4-methanesulfonyl benzeneboronic acid,4-methanesulfonylphenylboronic acid,4-methylsulfonylphenyl boronic acid,4-boronophenyl methyl sulphone,4-methylsulphonyl phenylboronic acid,4-methylsulphonyl benzeneboronic acid,4-methanesulfonylphenyl boranediol PubChem CID: 2734364 IUPAC Name: (4-methylsulfonylphenyl)boronic acid SMILES: CS(=O)(=O)C1=CC=C(C=C1)B(O)O

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Specifications

PubChem CID	2734364
CAS	149104-88-1
Molecular Weight (g/mol)	200.02
MDL Number	MFCD01630820
SMILES	CS(=O)(=O)C1=CC=C(C=C1)B(O)O
Synonym	4-methylsulfonyl phenylboronic acid,4-methanesulfonyl phenylboronic acid,4-methylsulfonyl phenyl boronic acid,4-methanesulfonyl benzeneboronic acid,4-methanesulfonylphenylboronic acid,4-methylsulfonylphenyl boronic acid,4-boronophenyl methyl sulphone,4-methylsulphonyl phenylboronic acid,4-methylsulphonyl benzeneboronic acid,4-methanesulfonylphenyl boranediol
IUPAC Name	(4-methylsulfonylphenyl)boronic acid
InChI Key	VDUKDQTYMWUSAC-UHFFFAOYSA-N
Molecular Formula	C7H9BO4S

3,3'-Diaminodiphenyl sulfone, 98%

CAS: 599-61-1 Molecular Formula: C12H12N2O2S Molecular Weight (g/mol): 248.30 MDL Number: MFCD00007792 InChI Key: LJGHYPLBDBRCRZ-UHFFFAOYSA-N Synonym: 3,3'-sulfonyldianiline,3,3'-diaminodiphenyl sulfone,3-aminophenyl sulfone,benzenamine, 3,3'-sulfonylbis,3,3'-sulphonyldianiline,bis m-aminophenyl sulfone,3-aminophenyl-sulfone,3,3'-diaminophenyl sulfone,3,3'-sulfonylbis aniline,sulfone, bis m-aminophenyl PubChem CID: 11741 IUPAC Name: 3-(3-aminophenyl)sulfonylaniline SMILES: NC1=CC(=CC=C1)S(=O)(=O)C1=CC(N)=CC=C1

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Specifications

PubChem CID	11741
CAS	599-61-1
Molecular Weight (g/mol)	248.30
MDL Number	MFCD00007792
SMILES	NC1=CC(=CC=C1)S(=O)(=O)C1=CC(N)=CC=C1
Synonym	3,3'-sulfonyldianiline,3,3'-diaminodiphenyl sulfone,3-aminophenyl sulfone,benzenamine, 3,3'-sulfonylbis,3,3'-sulphonyldianiline,bis m-aminophenyl sulfone,3-aminophenyl-sulfone,3,3'-diaminophenyl sulfone,3,3'-sulfonylbis aniline,sulfone, bis m-aminophenyl
IUPAC Name	3-(3-aminophenyl)sulfonylaniline
InChI Key	LJGHYPLBDBRCRZ-UHFFFAOYSA-N
Molecular Formula	C12H12N2O2S

4-(Methylsulfonyl)benzoic acid, 98%

CAS: 4052-30-6 Molecular Formula: C8H8O4S Molecular Weight (g/mol): 200.208 MDL Number: MFCD00007564 InChI Key: AJBWNNKDUMXZLM-UHFFFAOYSA-N Synonym: 4-methylsulfonyl benzoic acid,p-methylsulfonylbenzoic acid,4-methanesulfonyl-benzoic acid,4-methylsulphonylbenzoic acid,4-methylsulphonyl benzoic acid,4-methanesulfonylbenzoic acid,benzoic acid, 4-methylsulfonyl,p-methylsulphonyl benzoic acid,4-methanesulfonyl benzoic acid PubChem CID: 77670 IUPAC Name: 4-methylsulfonylbenzoic acid SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	77670
CAS	4052-30-6
Molecular Weight (g/mol)	200.208
MDL Number	MFCD00007564
SMILES	CS(=O)(=O)C1=CC=C(C=C1)C(=O)O
Synonym	4-methylsulfonyl benzoic acid,p-methylsulfonylbenzoic acid,4-methanesulfonyl-benzoic acid,4-methylsulphonylbenzoic acid,4-methylsulphonyl benzoic acid,4-methanesulfonylbenzoic acid,benzoic acid, 4-methylsulfonyl,p-methylsulphonyl benzoic acid,4-methanesulfonyl benzoic acid
IUPAC Name	4-methylsulfonylbenzoic acid
InChI Key	AJBWNNKDUMXZLM-UHFFFAOYSA-N
Molecular Formula	C8H8O4S

(Phenylsulfonyl)acetic acid, 97%

CAS: 3959-23-7 Molecular Formula: C8H8O4S Molecular Weight (g/mol): 200.208 MDL Number: MFCD00025042 InChI Key: YTEFAALYDTWTLB-UHFFFAOYSA-N Synonym: phenylsulfonyl acetic acid,2-phenylsulfonyl acetic acid,2-benzenesulfonyl acetic acid,phenylsulfonylacetic acid,acetic acid, phenylsulfonyl,benzenesulfonyl-acetic acid,benzenesulfonyl acetic acid,2-phenylsulphonyl acetic acid,benzenesulfonylacetic acid,phenyl sulfonylacetic acid PubChem CID: 59543 IUPAC Name: 2-(benzenesulfonyl)acetic acid SMILES: C1=CC=C(C=C1)S(=O)(=O)CC(=O)O

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Specifications

PubChem CID	59543
CAS	3959-23-7
Molecular Weight (g/mol)	200.208
MDL Number	MFCD00025042
SMILES	C1=CC=C(C=C1)S(=O)(=O)CC(=O)O
Synonym	phenylsulfonyl acetic acid,2-phenylsulfonyl acetic acid,2-benzenesulfonyl acetic acid,phenylsulfonylacetic acid,acetic acid, phenylsulfonyl,benzenesulfonyl-acetic acid,benzenesulfonyl acetic acid,2-phenylsulphonyl acetic acid,benzenesulfonylacetic acid,phenyl sulfonylacetic acid
IUPAC Name	2-(benzenesulfonyl)acetic acid
InChI Key	YTEFAALYDTWTLB-UHFFFAOYSA-N
Molecular Formula	C8H8O4S

4-Fluorophenylsulfonylacetonitrile, 97%

CAS: 32083-66-2 Molecular Formula: C8H6FNO2S Molecular Weight (g/mol): 199.199 MDL Number: MFCD00179339 InChI Key: WBXJZTLPEMITJL-UHFFFAOYSA-N Synonym: 4-fluorobenzenesulfonyl acetonitrile,2-4-fluorophenyl sulfonyl acetonitrile,4-fluorobenzenesulphonyl acetonitrile,4-fluorophenyl sulfonyl acetonitrile,2-4-fluorobenzenesulfonyl acetonitrile,4-fluorophenylsulfonylacetonitrile,4-fluorobenzenesulfonylacetonitrile,2-4-fluorophenyl sulfonylacetonitrile,4-fluorophenylsulfonyl acetonitrile PubChem CID: 565732 IUPAC Name: 2-(4-fluorophenyl)sulfonylacetonitrile SMILES: C1=CC(=CC=C1F)S(=O)(=O)CC#N

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Specifications

PubChem CID	565732
CAS	32083-66-2
Molecular Weight (g/mol)	199.199
MDL Number	MFCD00179339
SMILES	C1=CC(=CC=C1F)S(=O)(=O)CC#N
Synonym	4-fluorobenzenesulfonyl acetonitrile,2-4-fluorophenyl sulfonyl acetonitrile,4-fluorobenzenesulphonyl acetonitrile,4-fluorophenyl sulfonyl acetonitrile,2-4-fluorobenzenesulfonyl acetonitrile,4-fluorophenylsulfonylacetonitrile,4-fluorobenzenesulfonylacetonitrile,2-4-fluorophenyl sulfonylacetonitrile,4-fluorophenylsulfonyl acetonitrile
IUPAC Name	2-(4-fluorophenyl)sulfonylacetonitrile
InChI Key	WBXJZTLPEMITJL-UHFFFAOYSA-N
Molecular Formula	C8H6FNO2S

Methyl phenyl sulfone, 98+%

CAS: 3112-85-4 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.199 MDL Number: MFCD00014741 InChI Key: JCDWETOKTFWTHA-UHFFFAOYSA-N Synonym: methyl phenyl sulfone,methylsulfonyl benzene,phenyl methyl sulfone,benzene, methylsulfonyl,sulfone, methyl phenyl,phenylsulfonyl methane,methylphenylsulfone,methylsulphonyl benzene,methanesulfonylbenzene,methyl phenyl sulphone PubChem CID: 18369 IUPAC Name: methylsulfonylbenzene SMILES: CS(=O)(=O)C1=CC=CC=C1

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Specifications

PubChem CID	18369
CAS	3112-85-4
Molecular Weight (g/mol)	156.199
MDL Number	MFCD00014741
SMILES	CS(=O)(=O)C1=CC=CC=C1
Synonym	methyl phenyl sulfone,methylsulfonyl benzene,phenyl methyl sulfone,benzene, methylsulfonyl,sulfone, methyl phenyl,phenylsulfonyl methane,methylphenylsulfone,methylsulphonyl benzene,methanesulfonylbenzene,methyl phenyl sulphone
IUPAC Name	methylsulfonylbenzene
InChI Key	JCDWETOKTFWTHA-UHFFFAOYSA-N
Molecular Formula	C7H8O2S

Chloromethyl phenyl sulfone, 99%

CAS: 7205-98-3 Molecular Formula: C₇H₇ClO₂S Molecular Weight (g/mol): 190.65 MDL Number: MFCD00007551 InChI Key: NXAIQSVCXQZNRY-UHFFFAOYSA-N Synonym: chloromethyl phenyl sulfone,chloromethyl sulfonyl benzene,phenyl chloromethyl sulfone,chloromethylphenylsulfone,benzene, chloromethyl sulfonyl,chloromethylphenyl sulfone,1-chloromethylsulfonyl benzene,chloromethyl sulphonyl benzene PubChem CID: 81625 IUPAC Name: chloromethylsulfonylbenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)CCl

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Specifications

PubChem CID	81625
CAS	7205-98-3
Molecular Weight (g/mol)	190.65
MDL Number	MFCD00007551
SMILES	C1=CC=C(C=C1)S(=O)(=O)CCl
Synonym	chloromethyl phenyl sulfone,chloromethyl sulfonyl benzene,phenyl chloromethyl sulfone,chloromethylphenylsulfone,benzene, chloromethyl sulfonyl,chloromethylphenyl sulfone,1-chloromethylsulfonyl benzene,chloromethyl sulphonyl benzene
IUPAC Name	chloromethylsulfonylbenzene
InChI Key	NXAIQSVCXQZNRY-UHFFFAOYSA-N
Molecular Formula	C₇H₇ClO₂S

2-(Methylsulfonyl)benzeneboronic acid, 98%

CAS: 330804-03-0 Molecular Formula: C7H9BO4S Molecular Weight (g/mol): 200.015 MDL Number: MFCD02179472 InChI Key: MSQFFCRGQPVQRS-UHFFFAOYSA-N Synonym: 2-methylsulfonyl phenylboronic acid,2-methylsulfonyl phenyl boronic acid,2-methylsulfonylphenyl boronic acid,2-methanesulfonyl phenylboronic acid,2-methylsulphonyl phenylboronic acid,2-methanesulfonylphenylboronic acid,2-methylsulphonyl benzeneboronic acid,2-methylsulfonyl benzeneboronic acid,b-2-methylsulfonyl phenyl-boronic acid PubChem CID: 2773539 IUPAC Name: (2-methylsulfonylphenyl)boronic acid SMILES: B(C1=CC=CC=C1S(=O)(=O)C)(O)O

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Specifications

PubChem CID	2773539
CAS	330804-03-0
Molecular Weight (g/mol)	200.015
MDL Number	MFCD02179472
SMILES	B(C1=CC=CC=C1S(=O)(=O)C)(O)O
Synonym	2-methylsulfonyl phenylboronic acid,2-methylsulfonyl phenyl boronic acid,2-methylsulfonylphenyl boronic acid,2-methanesulfonyl phenylboronic acid,2-methylsulphonyl phenylboronic acid,2-methanesulfonylphenylboronic acid,2-methylsulphonyl benzeneboronic acid,2-methylsulfonyl benzeneboronic acid,b-2-methylsulfonyl phenyl-boronic acid
IUPAC Name	(2-methylsulfonylphenyl)boronic acid
InChI Key	MSQFFCRGQPVQRS-UHFFFAOYSA-N
Molecular Formula	C7H9BO4S

4-Aminophenyl sulfone, 97%

CAS: 80-08-0 Molecular Formula: C₁₂H₁₂N₂O₂S Molecular Weight (g/mol): 248.3 MDL Number: MFCD00007887 InChI Key: MQJKPEGWNLWLTK-UHFFFAOYSA-N Synonym: dapsone,diaphenylsulfone,4,4'-diaminodiphenyl sulfone,dapson,4,4'-sulfonyldianiline,diaphenylsulfon,sulfona,4-aminophenyl sulfone,avlosulfone,diphenasone PubChem CID: 2955 ChEBI: CHEBI:4325 IUPAC Name: 4-(4-aminophenyl)sulfonylaniline SMILES: C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N

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Specifications

PubChem CID	2955
CAS	80-08-0
Molecular Weight (g/mol)	248.3
ChEBI	CHEBI:4325
MDL Number	MFCD00007887
SMILES	C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N
Synonym	dapsone,diaphenylsulfone,4,4'-diaminodiphenyl sulfone,dapson,4,4'-sulfonyldianiline,diaphenylsulfon,sulfona,4-aminophenyl sulfone,avlosulfone,diphenasone
IUPAC Name	4-(4-aminophenyl)sulfonylaniline
InChI Key	MQJKPEGWNLWLTK-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₂N₂O₂S

4-Methylsulphonyl benzaldehyde, 95%

CAS: 5398-77-6 Molecular Formula: C₈H₈O₃S Molecular Weight (g/mol): 184.22 MDL Number: MFCD00216485 InChI Key: PSVPUHBSBYJSMQ-UHFFFAOYSA-N Synonym: 4-methylsulfonyl benzaldehyde,4-methylsulphonyl benzaldehyde,4-methanesulfonylbenzaldehyde,4-methanesulfonyl-benzaldehyde,4-methylsulfonyl-benzaldehyde,4-methylsulphonylbenzaldehyde,p-methylsulphonyl benzaldehyde,benzaldehyde, 4-methylsulfonyl,pubchem8151 PubChem CID: 220376 IUPAC Name: 4-methylsulfonylbenzaldehyde SMILES: CS(=O)(=O)C1=CC=C(C=C1)C=O

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Specifications

PubChem CID	220376
CAS	5398-77-6
Molecular Weight (g/mol)	184.22
MDL Number	MFCD00216485
SMILES	CS(=O)(=O)C1=CC=C(C=C1)C=O
Synonym	4-methylsulfonyl benzaldehyde,4-methylsulphonyl benzaldehyde,4-methanesulfonylbenzaldehyde,4-methanesulfonyl-benzaldehyde,4-methylsulfonyl-benzaldehyde,4-methylsulphonylbenzaldehyde,p-methylsulphonyl benzaldehyde,benzaldehyde, 4-methylsulfonyl,pubchem8151
IUPAC Name	4-methylsulfonylbenzaldehyde
InChI Key	PSVPUHBSBYJSMQ-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₃S

Allyl phenyl sulfone, 98%

CAS: 16212-05-8 Molecular Formula: C9H10O2S Molecular Weight (g/mol): 182.237 MDL Number: MFCD00014739 InChI Key: KYPIULIVYSQNNT-UHFFFAOYSA-N Synonym: allyl phenyl sulfone,benzene, 2-propenylsulfonyl,allylsulfonyl benzene,phenyl allyl sulfone,sulfone, allyl phenyl,allylsulphonyl benzene,allylphenyl sulfone,3-phenylsulfonyl-1-propene,benzene, 2-propen-1-ylsulfonyl PubChem CID: 85330 IUPAC Name: prop-2-enylsulfonylbenzene SMILES: C=CCS(=O)(=O)C1=CC=CC=C1

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Specifications

PubChem CID	85330
CAS	16212-05-8
Molecular Weight (g/mol)	182.237
MDL Number	MFCD00014739
SMILES	C=CCS(=O)(=O)C1=CC=CC=C1
Synonym	allyl phenyl sulfone,benzene, 2-propenylsulfonyl,allylsulfonyl benzene,phenyl allyl sulfone,sulfone, allyl phenyl,allylsulphonyl benzene,allylphenyl sulfone,3-phenylsulfonyl-1-propene,benzene, 2-propen-1-ylsulfonyl
IUPAC Name	prop-2-enylsulfonylbenzene
InChI Key	KYPIULIVYSQNNT-UHFFFAOYSA-N
Molecular Formula	C9H10O2S

4-(Methylsulfonyl)phenylacetic acid, 97%

CAS: 90536-66-6 Molecular Formula: C9H10O4S Molecular Weight (g/mol): 214.235 MDL Number: MFCD00216495 InChI Key: HGGWOSYNRVOQJH-UHFFFAOYSA-N Synonym: 4-methylsulfonyl phenylacetic acid,4-methylsulphonylphenylacetic acid,2-4-methylsulfonyl phenyl acetic acid,4-mesylphenylacetic acid,4-methanesulfonylphenyl acetic acid,4-methylsulfonyl phenyl acetic acid,4-methanesulfonyl phenylacetic acid,2-4-methanesulfonylphenyl acetic acid,4-methylsulfonylphenylacetic acid PubChem CID: 572345 IUPAC Name: 2-(4-methylsulfonylphenyl)acetic acid SMILES: CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O

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Specifications

PubChem CID	572345
CAS	90536-66-6
Molecular Weight (g/mol)	214.235
MDL Number	MFCD00216495
SMILES	CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O
Synonym	4-methylsulfonyl phenylacetic acid,4-methylsulphonylphenylacetic acid,2-4-methylsulfonyl phenyl acetic acid,4-mesylphenylacetic acid,4-methanesulfonylphenyl acetic acid,4-methylsulfonyl phenyl acetic acid,4-methanesulfonyl phenylacetic acid,2-4-methanesulfonylphenyl acetic acid,4-methylsulfonylphenylacetic acid
IUPAC Name	2-(4-methylsulfonylphenyl)acetic acid
InChI Key	HGGWOSYNRVOQJH-UHFFFAOYSA-N
Molecular Formula	C9H10O4S

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