3-[2-methoxycarbonyl-3-(2-sulfanylethyl)phenyl]benzoic acid

Systemtic Name: 3-[2-methoxycarbonyl-3-(2-sulfanylethyl)phenyl]benzoic acid Openeye Name: 3-[2-methoxycarbonyl-3-(2-sulfanylethyl)phenyl]benzoic acid CAS Name: 3-[3-(2-mercaptoethyl)-2-methoxycarbonylphenyl]benzoic acid IUPAC Name: 3-[2-methoxycarbonyl-3-(2-sulfanylethyl)phenyl]benzoic acid Traditional Name: 3-[2-carbomethoxy-3-(2-mercaptoethyl)phenyl]benzoic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1CCS)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CC=C1CCS)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C17H16O4S/c1-21-17(20)15-11(8-9-22)4-3-7-14(15)12-5-2-6-13(10-12)16(18)19/h2-7,10,22H,8-9H2,1H3,(H,18,19)