2-(3-carboxyphenyl)-6-(2-sulfanylethyl)benzoic acid

Systemtic Name: 2-(3-carboxyphenyl)-6-(2-sulfanylethyl)benzoic acid Openeye Name: 2-(3-carboxyphenyl)-6-(2-sulfanylethyl)benzoic acid CAS Name: 2-(3-carboxyphenyl)-6-(2-mercaptoethyl)benzoic acid IUPAC Name: 2-(3-carboxyphenyl)-6-(2-sulfanylethyl)benzoic acid Traditional Name: 2-(3-carboxyphenyl)-6-(2-mercaptoethyl)benzoic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=C(C(=CC=C2)CCS)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=C(C(=CC=C2)CCS)C(=O)O

InChI

InChI=1S/C16H14O4S/c17-15(18)12-5-1-4-11(9-12)13-6-2-3-10(7-8-21)14(13)16(19)20/h1-6,9,21H,7-8H2,(H,17,18)(H,19,20)