2-[(2-carboxyphenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 2-[(2-carboxyphenyl)sulfanylmethyl]benzoic acid Openeye Name: 2-[(2-carboxyphenyl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(2-carboxyphenyl)thio]methyl]benzoic acid IUPAC Name: 2-[(2-carboxyphenyl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(2-carboxyphenyl)thio]methyl]benzoic acid Formula: C15H12O4S MolecularWeight: 288.31838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=CC=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C15H12O4S/c16-14(17)11-6-2-1-5-10(11)9-20-13-8-4-3-7-12(13)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19)