Phenoxy compounds

Organic compounds that have one or more phenyl groups that are bonded to an oxygen with a radical electron; includes compounds with additional substitutions.

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1,4-Dimethoxybenzene, 98%

CAS: 150-78-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00008401 InChI Key: OHBQPCCCRFSCAX-UHFFFAOYSA-N Synonym: p-dimethoxybenzene,p-methoxyanisole,hydroquinone dimethyl ether,benzene, 1,4-dimethoxy,quinol dimethyl ether,benzene, p-dimethoxy,dimethylhydroquinone ether,dimethyl ether hydroquinone,1,4-dimethoxybenzol,usaf an-9 PubChem CID: 9016 IUPAC Name: 1,4-dimethoxybenzene SMILES: COC1=CC=C(OC)C=C1

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PubChem CID	9016
CAS	150-78-7
Molecular Weight (g/mol)	138.17
MDL Number	MFCD00008401
SMILES	COC1=CC=C(OC)C=C1
Synonym	p-dimethoxybenzene,p-methoxyanisole,hydroquinone dimethyl ether,benzene, 1,4-dimethoxy,quinol dimethyl ether,benzene, p-dimethoxy,dimethylhydroquinone ether,dimethyl ether hydroquinone,1,4-dimethoxybenzol,usaf an-9
IUPAC Name	1,4-dimethoxybenzene
InChI Key	OHBQPCCCRFSCAX-UHFFFAOYSA-N
Molecular Formula	C8H10O2

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tert-Butyl phenyl carbonate, 97%

CAS: 6627-89-0 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00008804 InChI Key: UXWVQHXKKOGTSY-UHFFFAOYSA-N Synonym: t-butyl phenyl carbonate,tert-butylphenylcarbonate,2-methyl-2-propanyl phenyl carbonate,carbonic acid, 1,1-dimethylethyl phenyl ester,pubchem13300,acmc-209nuo,phenyl t-butyl carbonate,uxwvqhxkkogtsy-uhfffaoysa,tert-butyl phenyl carbonate,carbonic acid tert-butylphenyl ester PubChem CID: 81113 IUPAC Name: tert-butyl phenyl carbonate SMILES: CC(C)(C)OC(=O)OC1=CC=CC=C1

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PubChem CID	81113
CAS	6627-89-0
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00008804
SMILES	CC(C)(C)OC(=O)OC1=CC=CC=C1
Synonym	t-butyl phenyl carbonate,tert-butylphenylcarbonate,2-methyl-2-propanyl phenyl carbonate,carbonic acid, 1,1-dimethylethyl phenyl ester,pubchem13300,acmc-209nuo,phenyl t-butyl carbonate,uxwvqhxkkogtsy-uhfffaoysa,tert-butyl phenyl carbonate,carbonic acid tert-butylphenyl ester
IUPAC Name	tert-butyl phenyl carbonate
InChI Key	UXWVQHXKKOGTSY-UHFFFAOYSA-N
Molecular Formula	C11H14O3

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4-(Trifluoromethoxy)aniline, 98%

CAS: 461-82-5 Molecular Formula: C7H6F3NO Molecular Weight (g/mol): 177.126 MDL Number: MFCD00041314 InChI Key: XUJFOSLZQITUOI-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy aniline,4-trifluoromethoxy-phenylamine,4-trifluoromethoxy benzenamine,p-trifluoromethoxyaniline,4-trifluoroethoxy aniline,benzenamine, 4-trifluoromethoxy,unii-p40l42cvf6,alpha,alpha,alpha-trifluoro-p-anisidine,p-aminotrifluoromethoxybenzene,4-amino-alpha,alpha,alpha-trifluoroanisole PubChem CID: 600848 IUPAC Name: 4-(trifluoromethoxy)aniline SMILES: C1=CC(=CC=C1N)OC(F)(F)F

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PubChem CID	600848
CAS	461-82-5
Molecular Weight (g/mol)	177.126
MDL Number	MFCD00041314
SMILES	C1=CC(=CC=C1N)OC(F)(F)F
Synonym	4-trifluoromethoxy aniline,4-trifluoromethoxy-phenylamine,4-trifluoromethoxy benzenamine,p-trifluoromethoxyaniline,4-trifluoroethoxy aniline,benzenamine, 4-trifluoromethoxy,unii-p40l42cvf6,alpha,alpha,alpha-trifluoro-p-anisidine,p-aminotrifluoromethoxybenzene,4-amino-alpha,alpha,alpha-trifluoroanisole
IUPAC Name	4-(trifluoromethoxy)aniline
InChI Key	XUJFOSLZQITUOI-UHFFFAOYSA-N
Molecular Formula	C7H6F3NO

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4-n-Propoxybenzoic acid, 98%

CAS: 5438-19-7 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00013989 InChI Key: GDFUWFOCYZZGQU-UHFFFAOYSA-N Synonym: p-propoxybenzoic acid,4-n-propoxybenzoic acid,benzoic acid, 4-propoxy,4-n-propyloxybenzoic acid,4-propoxy-benzoic acid,benzoic acid, p-propoxy,p-propyloxybenzoic acid,pubchem2681,4-propoxy benzoic acid,p-carboxyphenoxy propane PubChem CID: 138500 IUPAC Name: 4-propoxybenzoic acid SMILES: CCCOC1=CC=C(C=C1)C(O)=O

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PubChem CID	138500
CAS	5438-19-7
Molecular Weight (g/mol)	180.20
MDL Number	MFCD00013989
SMILES	CCCOC1=CC=C(C=C1)C(O)=O
Synonym	p-propoxybenzoic acid,4-n-propoxybenzoic acid,benzoic acid, 4-propoxy,4-n-propyloxybenzoic acid,4-propoxy-benzoic acid,benzoic acid, p-propoxy,p-propyloxybenzoic acid,pubchem2681,4-propoxy benzoic acid,p-carboxyphenoxy propane
IUPAC Name	4-propoxybenzoic acid
InChI Key	GDFUWFOCYZZGQU-UHFFFAOYSA-N
Molecular Formula	C10H12O3

Neostigmine bromide

CAS: 114-80-7 Molecular Formula: C12H19BrN2O2 Molecular Weight (g/mol): 303.20 MDL Number: MFCD00011795 InChI Key: LULNWZDBKTWDGK-UHFFFAOYSA-M Synonym: neostigmine bromide,neo-proserin,eustigmin bromide,neoserine bromide,proserine bromide,stigmanol bromide,synstigmin bromide,leostigmine bromide,kirkstigmine bromide,philostigmin bromide PubChem CID: 8246 ChEBI: CHEBI:179557 IUPAC Name: 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide SMILES: [Br-].CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C

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PubChem CID	8246
CAS	114-80-7
Molecular Weight (g/mol)	303.20
ChEBI	CHEBI:179557
MDL Number	MFCD00011795
SMILES	[Br-].CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C
Synonym	neostigmine bromide,neo-proserin,eustigmin bromide,neoserine bromide,proserine bromide,stigmanol bromide,synstigmin bromide,leostigmine bromide,kirkstigmine bromide,philostigmin bromide
IUPAC Name	3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide
InChI Key	LULNWZDBKTWDGK-UHFFFAOYSA-M
Molecular Formula	C12H19BrN2O2

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Hydroquinone bis(2-hydroxyethyl)ether, 98+%

CAS: 104-38-1 Molecular Formula: C₁₀H₁₄O₄ Molecular Weight (g/mol): 198.22 MDL Number: MFCD00002861 InChI Key: WTPYFJNYAMXZJG-UHFFFAOYSA-N Synonym: hydroquinone bis 2-hydroxyethyl ether,1,4-bis 2-hydroxyethoxy benzene,vernatzer 30/10,2,2'-1,4-phenylenebis oxy diethanol,hydroquinone di 2-hydroxyethyl ether,hydroquinone diethylol ether,2,2'-phenylenedioxy diethanol,2,2'-p-phenylenedioxy diethanol,2,2'-p-phenylenedioxydiethanol,2-4-2-hydroxyethoxy phenoxy ethanol PubChem CID: 66912 IUPAC Name: 2-[4-(2-hydroxyethoxy)phenoxy]ethanol SMILES: C1=CC(=CC=C1OCCO)OCCO

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PubChem CID	66912
CAS	104-38-1
Molecular Weight (g/mol)	198.22
MDL Number	MFCD00002861
SMILES	C1=CC(=CC=C1OCCO)OCCO
Synonym	hydroquinone bis 2-hydroxyethyl ether,1,4-bis 2-hydroxyethoxy benzene,vernatzer 30/10,2,2'-1,4-phenylenebis oxy diethanol,hydroquinone di 2-hydroxyethyl ether,hydroquinone diethylol ether,2,2'-phenylenedioxy diethanol,2,2'-p-phenylenedioxy diethanol,2,2'-p-phenylenedioxydiethanol,2-4-2-hydroxyethoxy phenoxy ethanol
IUPAC Name	2-[4-(2-hydroxyethoxy)phenoxy]ethanol
InChI Key	WTPYFJNYAMXZJG-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₄O₄

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(4-Bromophenoxy)-tert-butyldimethylsilane, 97%

CAS: 67963-68-2 Molecular Formula: C₁₂H₁₉BrOSi Molecular Weight (g/mol): 287.27 MDL Number: MFCD00239382 InChI Key: DLGZGLKSNRKLSM-UHFFFAOYSA-N Synonym: 4-bromophenoxy tert-butyl dimethylsilane,4-bromophenoxy-tert-butyldimethylsilane,p-bromophenoxy t-butyl dimethylsilane,4-bromophenoxy-tert-butyl-dimethylsilane,1-bromo-4-tert-butyldimethylsiloxy benzene,4-bromophenol tert-butyldimethylsilyl ether,silane, 4-bromophenoxy 1,1-dimethylethyl dimethyl,1-bromo-4-1,1-dimethylethyl dimethylsilyl oxy benzene,acmc-1b8oo PubChem CID: 4227167 IUPAC Name: (4-bromophenoxy)-tert-butyl-dimethylsilane SMILES: CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)Br

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PubChem CID	4227167
CAS	67963-68-2
Molecular Weight (g/mol)	287.27
MDL Number	MFCD00239382
SMILES	CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)Br
Synonym	4-bromophenoxy tert-butyl dimethylsilane,4-bromophenoxy-tert-butyldimethylsilane,p-bromophenoxy t-butyl dimethylsilane,4-bromophenoxy-tert-butyl-dimethylsilane,1-bromo-4-tert-butyldimethylsiloxy benzene,4-bromophenol tert-butyldimethylsilyl ether,silane, 4-bromophenoxy 1,1-dimethylethyl dimethyl,1-bromo-4-1,1-dimethylethyl dimethylsilyl oxy benzene,acmc-1b8oo
IUPAC Name	(4-bromophenoxy)-tert-butyl-dimethylsilane
InChI Key	DLGZGLKSNRKLSM-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₉BrOSi

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4-Allyl-2,6-dimethoxyphenol, 98%

CAS: 6627-88-9 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00008655 InChI Key: FWMPKHMKIJDEMJ-UHFFFAOYSA-N Synonym: 4-allyl-2,6-dimethoxyphenol,methoxyeugenol,4-allylsyringol,phenol, 2,6-dimethoxy-4-2-propenyl,2,6-dimethoxychavicol,phenol, 4-allyl-2,6-dimethoxy,unii-8vf00ywp89,2,6-dimethoxy-4-allylphenol,2,6-dimethoxy-4-prop-2-en-1-yl phenol,4-hydroxy-3,5-dimethoxyallylbenzene PubChem CID: 226486 ChEBI: CHEBI:86562 IUPAC Name: 2,6-dimethoxy-4-prop-2-enylphenol SMILES: COC1=CC(CC=C)=CC(OC)=C1O

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PubChem CID	226486
CAS	6627-88-9
Molecular Weight (g/mol)	194.23
ChEBI	CHEBI:86562
MDL Number	MFCD00008655
SMILES	COC1=CC(CC=C)=CC(OC)=C1O
Synonym	4-allyl-2,6-dimethoxyphenol,methoxyeugenol,4-allylsyringol,phenol, 2,6-dimethoxy-4-2-propenyl,2,6-dimethoxychavicol,phenol, 4-allyl-2,6-dimethoxy,unii-8vf00ywp89,2,6-dimethoxy-4-allylphenol,2,6-dimethoxy-4-prop-2-en-1-yl phenol,4-hydroxy-3,5-dimethoxyallylbenzene
IUPAC Name	2,6-dimethoxy-4-prop-2-enylphenol
InChI Key	FWMPKHMKIJDEMJ-UHFFFAOYSA-N
Molecular Formula	C11H14O3

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4'-n-Octyloxybiphenyl-4-carboxylic acid, 99%

CAS: 59748-18-4 Molecular Formula: C21H26O3 Molecular Weight (g/mol): 326.44 MDL Number: MFCD00192369 InChI Key: YNBBQLUKHHSKPW-UHFFFAOYSA-N Synonym: 4'-octyloxy-1,1'-biphenyl-4-carboxylic acid,4'-octyloxy-4-biphenylcarboxylic acid,4-n-octyloxybiphenyl-4'-carboxylic acid,4'-octyloxy biphenyl-4-carboxylic acid,4-4-octyloxyphenyl benzoic acid,4-4-octoxyphenyl benzoic acid,4-4-octyloxy phenyl benzoic acid,4-octyloxybiphenyl-4'carboxylic acid PubChem CID: 2802556 IUPAC Name: 4-(4-octoxyphenyl)benzoic acid SMILES: CCCCCCCCOC1=CC=C(C=C1)C1=CC=C(C=C1)C(O)=O

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PubChem CID	2802556
CAS	59748-18-4
Molecular Weight (g/mol)	326.44
MDL Number	MFCD00192369
SMILES	CCCCCCCCOC1=CC=C(C=C1)C1=CC=C(C=C1)C(O)=O
Synonym	4'-octyloxy-1,1'-biphenyl-4-carboxylic acid,4'-octyloxy-4-biphenylcarboxylic acid,4-n-octyloxybiphenyl-4'-carboxylic acid,4'-octyloxy biphenyl-4-carboxylic acid,4-4-octyloxyphenyl benzoic acid,4-4-octoxyphenyl benzoic acid,4-4-octyloxy phenyl benzoic acid,4-octyloxybiphenyl-4'carboxylic acid
IUPAC Name	4-(4-octoxyphenyl)benzoic acid
InChI Key	YNBBQLUKHHSKPW-UHFFFAOYSA-N
Molecular Formula	C21H26O3

2,6-Dimethoxybenzoic acid, 99%

CAS: 1466-76-8 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002437 InChI Key: MBIZFBDREVRUHY-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043 PubChem CID: 15109 IUPAC Name: 2,6-dimethoxybenzoic acid SMILES: COC1=CC=CC(OC)=C1C(O)=O

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PubChem CID	15109
CAS	1466-76-8
Molecular Weight (g/mol)	182.18
MDL Number	MFCD00002437
SMILES	COC1=CC=CC(OC)=C1C(O)=O
Synonym	benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043
IUPAC Name	2,6-dimethoxybenzoic acid
InChI Key	MBIZFBDREVRUHY-UHFFFAOYSA-N
Molecular Formula	C9H10O4

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4-Ethoxybenzoic acid, 98+%

CAS: 619-86-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002545 InChI Key: SHSGDXCJYVZFTP-UHFFFAOYSA-N Synonym: p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid PubChem CID: 12093 IUPAC Name: 4-ethoxybenzoic acid SMILES: CCOC1=CC=C(C=C1)C(=O)O

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PubChem CID	12093
CAS	619-86-3
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00002545
SMILES	CCOC1=CC=C(C=C1)C(=O)O
Synonym	p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid
IUPAC Name	4-ethoxybenzoic acid
InChI Key	SHSGDXCJYVZFTP-UHFFFAOYSA-N
Molecular Formula	C9H10O3

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PubChem CID	15109
CAS	1466-76-8
Molecular Weight (g/mol)	182.18
MDL Number	MFCD00002437
SMILES	COC1=CC=CC(OC)=C1C(O)=O
Synonym	benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043
IUPAC Name	2,6-dimethoxybenzoic acid
InChI Key	MBIZFBDREVRUHY-UHFFFAOYSA-N
Molecular Formula	C9H10O4

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2,4-Dimethoxybenzonitrile, 99%

CAS: 4107-65-7 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00001786 InChI Key: RYRZSQQELLQCMZ-UHFFFAOYSA-N Synonym: benzonitrile, 2,4-dimethoxy,2,4-dimethoxy-benzonitrile,2,4-dimethoxybenzenecarbonitrile,pubchem13105,acmc-1anqc,2.4-dimethoxybenzonitril,ksc497m9f,2,4-dimethoxybenzonitrile PubChem CID: 77750 IUPAC Name: 2,4-dimethoxybenzonitrile SMILES: COC1=CC(=C(C=C1)C#N)OC

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PubChem CID	77750
CAS	4107-65-7
Molecular Weight (g/mol)	163.176
MDL Number	MFCD00001786
SMILES	COC1=CC(=C(C=C1)C#N)OC
Synonym	benzonitrile, 2,4-dimethoxy,2,4-dimethoxy-benzonitrile,2,4-dimethoxybenzenecarbonitrile,pubchem13105,acmc-1anqc,2.4-dimethoxybenzonitril,ksc497m9f,2,4-dimethoxybenzonitrile
IUPAC Name	2,4-dimethoxybenzonitrile
InChI Key	RYRZSQQELLQCMZ-UHFFFAOYSA-N
Molecular Formula	C9H9NO2

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Triphenyl borate, 97%

CAS: 1095-03-0 Molecular Formula: C18H15BO3 Molecular Weight (g/mol): 290.125 MDL Number: MFCD00059011 InChI Key: MDCWDBMBZLORER-UHFFFAOYSA-N Synonym: triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester PubChem CID: 14182 IUPAC Name: triphenyl borate SMILES: B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3

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PubChem CID	14182
CAS	1095-03-0
Molecular Weight (g/mol)	290.125
MDL Number	MFCD00059011
SMILES	B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3
Synonym	triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester
IUPAC Name	triphenyl borate
InChI Key	MDCWDBMBZLORER-UHFFFAOYSA-N
Molecular Formula	C18H15BO3

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Phenyl methanesulfonate, 98%

CAS: 16156-59-5 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00095143 InChI Key: WXVUCMFEGJUVTN-UHFFFAOYSA-N Synonym: phenyl methylsulfonate,phenyl methyl sulfonate,acmc-1bs7l,phenylmethanesulfonate 4,phenyl methanesulfonate,methanesulfonic acid,phenyl ester,methanesulfonic acid phenyl ester,methanesulfonic acid, phenyl ester PubChem CID: 316170 IUPAC Name: phenyl methanesulfonate SMILES: CS(=O)(=O)OC1=CC=CC=C1

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Specifications

PubChem CID	316170
CAS	16156-59-5
Molecular Weight (g/mol)	172.20
MDL Number	MFCD00095143
SMILES	CS(=O)(=O)OC1=CC=CC=C1
Synonym	phenyl methylsulfonate,phenyl methyl sulfonate,acmc-1bs7l,phenylmethanesulfonate 4,phenyl methanesulfonate,methanesulfonic acid,phenyl ester,methanesulfonic acid phenyl ester,methanesulfonic acid, phenyl ester
IUPAC Name	phenyl methanesulfonate
InChI Key	WXVUCMFEGJUVTN-UHFFFAOYSA-N
Molecular Formula	C7H8O3S

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