5-[2-(4-methoxycarbonylphenyl)-4-methylsulfonyl-phenyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-(4-methoxycarbonylphenyl)-4-methylsulfonyl-phenyl]thiophene-2-carboxylic acid Openeye Name: 5-[2-(4-methoxycarbonylphenyl)-4-methylsulfonyl-phenyl]thiophene-2-carboxylic acid CAS Name: 5-[2-(4-methoxycarbonylphenyl)-4-methylsulfonylphenyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[2-(4-methoxycarbonylphenyl)-4-methylsulfonylphenyl]thiophene-2-carboxylic acid Traditional Name: 5-[2-(4-carbomethoxyphenyl)-4-mesyl-phenyl]-2-thenoic acid Formula: C20H16O6S2 MolecularWeight: 416.46744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2)S(=O)(=O)C)C3=CC=C(S3)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2)S(=O)(=O)C)C3=CC=C(S3)C(=O)O

InChI

InChI=1S/C20H16O6S2/c1-26-20(23)13-5-3-12(4-6-13)16-11-14(28(2,24)25)7-8-15(16)17-9-10-18(27-17)19(21)22/h3-11H,1-2H3,(H,21,22)