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Phthalic acid and derivatives

Organic compounds that consist of benzoic acid with an additional carboxylic acid substitution, both groups are located in adjacent carbon atoms; includes compounds that are directly derived from phthalic acid.
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1 – 15 de 67 résultats
1

Diethyl terephthalate, 95%

CAS: 636-09-9 Formule moléculaire: C12H14O4 Poids moléculaire (g/mol): 222.24 Numéro MDL: MFCD00039891 Clé InChI: ONIHPYYWNBVMID-UHFFFAOYSA-N Synonyme: diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester CID PubChem: 12483 Nom IUPAC: diethyl benzene-1,4-dicarboxylate SMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)OCC

Poids moléculaire (g/mol) 222.24
Synonyme diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester
Numéro MDL MFCD00039891
CAS 636-09-9
CID PubChem 12483
Nom IUPAC diethyl benzene-1,4-dicarboxylate
Clé InChI ONIHPYYWNBVMID-UHFFFAOYSA-N
SMILES CCOC(=O)C1=CC=C(C=C1)C(=O)OCC
Formule moléculaire C12H14O4
2

Dimethyl 5-hydroxyisophthalate, 98%

CAS: 13036-02-7 Formule moléculaire: C10H10O5 Poids moléculaire (g/mol): 210.19 Numéro MDL: MFCD00134367 Clé InChI: DOSDTCPDBPRFHQ-UHFFFAOYSA-N CID PubChem: 83065 Nom IUPAC: dimethyl 5-hydroxybenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(O)=C1)C(=O)OC

Poids moléculaire (g/mol) 210.19
Numéro MDL MFCD00134367
CAS 13036-02-7
CID PubChem 83065
Nom IUPAC dimethyl 5-hydroxybenzene-1,3-dicarboxylate
Clé InChI DOSDTCPDBPRFHQ-UHFFFAOYSA-N
SMILES COC(=O)C1=CC(=CC(O)=C1)C(=O)OC
Formule moléculaire C10H10O5
3

Disodium terephthalate, 99+%

CAS: 10028-70-3 Formule moléculaire: C8H4Na2O4 Poids moléculaire (g/mol): 210.096 Numéro MDL: MFCD00013137 Clé InChI: VIQSRHWJEKERKR-UHFFFAOYSA-L Synonyme: disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:? CID PubChem: 82305 Nom IUPAC: disodium;terephthalate SMILES: C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Poids moléculaire (g/mol) 210.096
Synonyme disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:?
Numéro MDL MFCD00013137
CAS 10028-70-3
CID PubChem 82305
Nom IUPAC disodium;terephthalate
Clé InChI VIQSRHWJEKERKR-UHFFFAOYSA-L
SMILES C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Formule moléculaire C8H4Na2O4
4

Dimethyl terephthalate, 99%, Thermo Scientific Chemicals

CAS: 120-61-6 Formule moléculaire: C10H10O4 Poids moléculaire (g/mol): 194.19 Numéro MDL: MFCD00008440 Clé InChI: WOZVHXUHUFLZGK-UHFFFAOYSA-N Synonyme: dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate CID PubChem: 8441 Nom IUPAC: 1,4-dimethyl benzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC

Poids moléculaire (g/mol) 194.19
Synonyme dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate
Numéro MDL MFCD00008440
CAS 120-61-6
CID PubChem 8441
Nom IUPAC 1,4-dimethyl benzene-1,4-dicarboxylate
Clé InChI WOZVHXUHUFLZGK-UHFFFAOYSA-N
SMILES COC(=O)C1=CC=C(C=C1)C(=O)OC
Formule moléculaire C10H10O4
5

Dimethyl 5-hydroxyisophthalate, 99%

CAS: 13036-02-7 Formule moléculaire: C10H10O5 Poids moléculaire (g/mol): 210.19 Numéro MDL: MFCD00134367 Clé InChI: DOSDTCPDBPRFHQ-UHFFFAOYSA-N CID PubChem: 83065 SMILES: COC(=O)C1=CC(=CC(O)=C1)C(=O)OC

Poids moléculaire (g/mol) 210.19
Numéro MDL MFCD00134367
CAS 13036-02-7
CID PubChem 83065
Clé InChI DOSDTCPDBPRFHQ-UHFFFAOYSA-N
SMILES COC(=O)C1=CC(=CC(O)=C1)C(=O)OC
Formule moléculaire C10H10O5
6

2-Nitroterephthalic acid 1-methyl ester, 97%

CAS: 35092-89-8 Formule moléculaire: C9H7NO6 Poids moléculaire (g/mol): 225.16 Numéro MDL: MFCD00024510 Clé InChI: MIIADZYPHVTLPR-UHFFFAOYSA-N Synonyme: 4-methoxycarbonyl-3-nitrobenzoic acid,1-methyl 2-nitroterephthalate,methyl hydrogen 2-nitroterephthalate,3-nitro-4-carbomethoxybenzoic acid,2-nitroterephthalic acid 1-methyl ester,methyl 2-nitro-4-carboxybenzoate,methyl-2-nitro-4-carboxy-benzoate,4-carbomethoxy-3-nitro-benzoic acid CID PubChem: 98592 Nom IUPAC: 4-(methoxycarbonyl)-3-nitrobenzoic acid SMILES: COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(O)=O

Poids moléculaire (g/mol) 225.16
Synonyme 4-methoxycarbonyl-3-nitrobenzoic acid,1-methyl 2-nitroterephthalate,methyl hydrogen 2-nitroterephthalate,3-nitro-4-carbomethoxybenzoic acid,2-nitroterephthalic acid 1-methyl ester,methyl 2-nitro-4-carboxybenzoate,methyl-2-nitro-4-carboxy-benzoate,4-carbomethoxy-3-nitro-benzoic acid
Numéro MDL MFCD00024510
CAS 35092-89-8
CID PubChem 98592
Nom IUPAC 4-(methoxycarbonyl)-3-nitrobenzoic acid
Clé InChI MIIADZYPHVTLPR-UHFFFAOYSA-N
SMILES COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(O)=O
Formule moléculaire C9H7NO6
7

Dimethyl 5-aminoisophthalate, 98%

CAS: 99-27-4 Formule moléculaire: C10H11NO4 Poids moléculaire (g/mol): 209.201 Numéro MDL: MFCD00008435 Clé InChI: DEKPYXUDJRABNK-UHFFFAOYSA-N CID PubChem: 66831 Nom IUPAC: dimethyl 5-aminobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)N)C(=O)OC

Poids moléculaire (g/mol) 209.201
Numéro MDL MFCD00008435
CAS 99-27-4
CID PubChem 66831
Nom IUPAC dimethyl 5-aminobenzene-1,3-dicarboxylate
Clé InChI DEKPYXUDJRABNK-UHFFFAOYSA-N
SMILES COC(=O)C1=CC(=CC(=C1)N)C(=O)OC
Formule moléculaire C10H11NO4
8

2-Aminoterephthalic acid, 99%

CAS: 10312-55-7 Formule moléculaire: C8H5NO4 Poids moléculaire (g/mol): 179.13 Numéro MDL: MFCD00134536 Clé InChI: GPNNOCMCNFXRAO-UHFFFAOYSA-L Synonyme: aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751 CID PubChem: 2724822 Nom IUPAC: 2-aminoterephthalic acid SMILES: NC1=CC(=CC=C1C([O-])=O)C([O-])=O

Poids moléculaire (g/mol) 179.13
Synonyme aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751
Numéro MDL MFCD00134536
CAS 10312-55-7
CID PubChem 2724822
Nom IUPAC 2-aminoterephthalic acid
Clé InChI GPNNOCMCNFXRAO-UHFFFAOYSA-L
SMILES NC1=CC(=CC=C1C([O-])=O)C([O-])=O
Formule moléculaire C8H5NO4
9

Dimethyl isophthalate, 98%

CAS: 1459-93-4 Formule moléculaire: C10H10O4 Poids moléculaire (g/mol): 194.19 Numéro MDL: MFCD00008433 Clé InChI: VNGOYPQMJFJDLV-UHFFFAOYSA-N Synonyme: dimethyl isophthalate,dimethyl m-phthalate,isophthalic acid dimethyl ester,methyl isophthalate,1,3-benzenedicarboxylic acid, dimethyl ester,morflex 1129,dimethyl 1,3-benzenedicarboxylate,dimethylisophthalate,methyl 3-carbomethoxy benzoate,isophthalic acid, dimethyl ester CID PubChem: 15088 Nom IUPAC: dimethyl benzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC=C1)C(=O)OC

Poids moléculaire (g/mol) 194.19
Synonyme dimethyl isophthalate,dimethyl m-phthalate,isophthalic acid dimethyl ester,methyl isophthalate,1,3-benzenedicarboxylic acid, dimethyl ester,morflex 1129,dimethyl 1,3-benzenedicarboxylate,dimethylisophthalate,methyl 3-carbomethoxy benzoate,isophthalic acid, dimethyl ester
Numéro MDL MFCD00008433
CAS 1459-93-4
CID PubChem 15088
Nom IUPAC dimethyl benzene-1,3-dicarboxylate
Clé InChI VNGOYPQMJFJDLV-UHFFFAOYSA-N
SMILES COC(=O)C1=CC(=CC=C1)C(=O)OC
Formule moléculaire C10H10O4
10

2-Nitroterephthalic acid 4-methyl ester, 97%

CAS: 55737-66-1 Formule moléculaire: C9H7NO6 Poids moléculaire (g/mol): 225.156 Numéro MDL: MFCD06203344 Clé InChI: VULISSQANNKDCH-UHFFFAOYSA-N Synonyme: 4-methoxycarbonyl-2-nitrobenzoic acid,2-nitro-4-methoxycarbonyl benzoic acid,2-nitroterephthalic acid 4-methyl ester,acmc-1awlg,methyl 4-carboxy-3-nitrobenzoate,4-carbomethoxy-2-nitrobenzoic acid,4-methoxycarbonyl-2-nitrobenzoicacid,2-nitro-terephthalic acid 4-methyl ester CID PubChem: 21906474 SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]

Poids moléculaire (g/mol) 225.156
Synonyme 4-methoxycarbonyl-2-nitrobenzoic acid,2-nitro-4-methoxycarbonyl benzoic acid,2-nitroterephthalic acid 4-methyl ester,acmc-1awlg,methyl 4-carboxy-3-nitrobenzoate,4-carbomethoxy-2-nitrobenzoic acid,4-methoxycarbonyl-2-nitrobenzoicacid,2-nitro-terephthalic acid 4-methyl ester
Numéro MDL MFCD06203344
CAS 55737-66-1
CID PubChem 21906474
Clé InChI VULISSQANNKDCH-UHFFFAOYSA-N
SMILES COC(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]
Formule moléculaire C9H7NO6
11

3,5-Bis(methoxycarbonyl)benzeneboronic acid pinacol ester, 97%

CAS: 944392-68-1 Formule moléculaire: C16H21BO6 Poids moléculaire (g/mol): 320.148 Numéro MDL: MFCD11858596 Clé InChI: IGSNWXAGFXHYOG-UHFFFAOYSA-N CID PubChem: 42614529 Nom IUPAC: dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Poids moléculaire (g/mol) 320.148
Numéro MDL MFCD11858596
CAS 944392-68-1
CID PubChem 42614529
Nom IUPAC dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate
Clé InChI IGSNWXAGFXHYOG-UHFFFAOYSA-N
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC
Formule moléculaire C16H21BO6
12

2-Bromoterephthalic acid, 97%

CAS: 586-35-6 Formule moléculaire: C8H5BrO4 Poids moléculaire (g/mol): 245.028 Numéro MDL: MFCD00002403 Clé InChI: QPBGNSFASPVGTP-UHFFFAOYSA-N Synonyme: bromoterephthalic acid,2-bromobenzene-1,4-dicarboxylic acid,2-bromoterephthalicacid,2-bromo-terephthalic acid,2-bromo-1,4-benzenedicarboxylic acid,1,4-benzenedicarboxylic acid, 2-bromo,labotest-bb lt00454996,pubchem12798,2-bromo terephthalic acid,acmc-1aoy9 CID PubChem: 68513 Nom IUPAC: 2-bromoterephthalic acid SMILES: C1=CC(=C(C=C1C(=O)O)Br)C(=O)O

Poids moléculaire (g/mol) 245.028
Synonyme bromoterephthalic acid,2-bromobenzene-1,4-dicarboxylic acid,2-bromoterephthalicacid,2-bromo-terephthalic acid,2-bromo-1,4-benzenedicarboxylic acid,1,4-benzenedicarboxylic acid, 2-bromo,labotest-bb lt00454996,pubchem12798,2-bromo terephthalic acid,acmc-1aoy9
Numéro MDL MFCD00002403
CAS 586-35-6
CID PubChem 68513
Nom IUPAC 2-bromoterephthalic acid
Clé InChI QPBGNSFASPVGTP-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1C(=O)O)Br)C(=O)O
Formule moléculaire C8H5BrO4
13

Thermo Scientific Chemicals 5(6)-Carboxyfluorescein, mixture of isomers, 97%

CAS: 72088-94-9 Formule moléculaire: C42H24O14 Poids moléculaire (g/mol): 752.64 Numéro MDL: MFCD00151081 Clé InChI: BPVHBBXCESDRKW-UHFFFAOYSA-N Synonyme: 5 6-fam,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-5-carboxylic acid compound with 3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid 1:1,5-and-6-fam,5-and-6-carboxyfluorescein,5-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, dye content 90 %,5 6-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, bioreagent, suitable for fluorescence hplc,3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-5-carboxylic acid compound with 3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-6-carboxylic acid 1:1,4 5-carboxyfluorescein; 3',6'-dihydroxy-3-oxospiro 2-benzofuran-1,9'-xanthene-5 6-carboxylic acid CID PubChem: 44119975 Nom IUPAC: 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid SMILES: OC(=O)C1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2.OC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2

Poids moléculaire (g/mol) 752.64
Synonyme 5 6-fam,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-5-carboxylic acid compound with 3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid 1:1,5-and-6-fam,5-and-6-carboxyfluorescein,5-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, dye content 90 %,5 6-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, bioreagent, suitable for fluorescence hplc,3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-5-carboxylic acid compound with 3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-6-carboxylic acid 1:1,4 5-carboxyfluorescein; 3',6'-dihydroxy-3-oxospiro 2-benzofuran-1,9'-xanthene-5 6-carboxylic acid
Numéro MDL MFCD00151081
CAS 72088-94-9
CID PubChem 44119975
Nom IUPAC 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
Clé InChI BPVHBBXCESDRKW-UHFFFAOYSA-N
SMILES OC(=O)C1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2.OC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2
Formule moléculaire C42H24O14
14

Dimethyl aminoterephthalate, 99%

CAS: 5372-81-6 Formule moléculaire: C10H11NO4 Poids moléculaire (g/mol): 209.201 Numéro MDL: MFCD00008427 Clé InChI: DSSKDXUDARIMTR-UHFFFAOYSA-N Synonyme: dimethyl 2-aminoterephthalate,dimethyl aminoterephthalate,dimethyl 3-aminoterephthalate,1,4-benzenedicarboxylic acid, 2-amino-, dimethyl ester,aminoterephthalic acid dimethyl ester,1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate,unii-91sf4e6i9w,2-aminoterephthalic acid, dimethyl ester,3-amino-4-methoxycarbonylbenzoic acid, methyl ester,terephthalic acid, amino-, dimethyl ester CID PubChem: 79336 Nom IUPAC: dimethyl 2-aminobenzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)N

Poids moléculaire (g/mol) 209.201
Synonyme dimethyl 2-aminoterephthalate,dimethyl aminoterephthalate,dimethyl 3-aminoterephthalate,1,4-benzenedicarboxylic acid, 2-amino-, dimethyl ester,aminoterephthalic acid dimethyl ester,1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate,unii-91sf4e6i9w,2-aminoterephthalic acid, dimethyl ester,3-amino-4-methoxycarbonylbenzoic acid, methyl ester,terephthalic acid, amino-, dimethyl ester
Numéro MDL MFCD00008427
CAS 5372-81-6
CID PubChem 79336
Nom IUPAC dimethyl 2-aminobenzene-1,4-dicarboxylate
Clé InChI DSSKDXUDARIMTR-UHFFFAOYSA-N
SMILES COC(=O)C1=CC(=C(C=C1)C(=O)OC)N
Formule moléculaire C10H11NO4
15

Dimethyl 5-bromoisophthalate, 98%

CAS: 51760-21-5 Formule moléculaire: C10H9BrO4 Poids moléculaire (g/mol): 273.082 Numéro MDL: MFCD00078709 Clé InChI: QUJINGKSNJNXEB-UHFFFAOYSA-N Synonyme: dimethyl 5-bromoisophthalate,5-bromoisophthalic acid dimethyl ester,dimethyl-5-bromoisophthalate,1,3-benzenedicarboxylic acid, 5-bromo-, dimethyl ester,1,3-dimethyl 5-bromobenzene-1,3-dicarboxylate,dimethyl5-bromoisophthalate,5-bromo-isophthalic acid dimethyl ester,1,3-benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester,methyl 5-bromo-3-methoxycarbonyl benzoate,5-bromoisophthalic acid, dimethyl ester CID PubChem: 103954 Nom IUPAC: dimethyl 5-bromobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)Br)C(=O)OC

Poids moléculaire (g/mol) 273.082
Synonyme dimethyl 5-bromoisophthalate,5-bromoisophthalic acid dimethyl ester,dimethyl-5-bromoisophthalate,1,3-benzenedicarboxylic acid, 5-bromo-, dimethyl ester,1,3-dimethyl 5-bromobenzene-1,3-dicarboxylate,dimethyl5-bromoisophthalate,5-bromo-isophthalic acid dimethyl ester,1,3-benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester,methyl 5-bromo-3-methoxycarbonyl benzoate,5-bromoisophthalic acid, dimethyl ester
Numéro MDL MFCD00078709
CAS 51760-21-5
CID PubChem 103954
Nom IUPAC dimethyl 5-bromobenzene-1,3-dicarboxylate
Clé InChI QUJINGKSNJNXEB-UHFFFAOYSA-N
SMILES COC(=O)C1=CC(=CC(=C1)Br)C(=O)OC
Formule moléculaire C10H9BrO4