2-[(2-carboxyphenyl)sulfanyl-phenyl-methyl]sulfanylbenzoic acid

Systemtic Name: 2-[(2-carboxyphenyl)sulfanyl-phenyl-methyl]sulfanylbenzoic acid Openeye Name: 2-[(2-carboxyphenyl)sulfanyl-phenyl-methyl]sulfanylbenzoic acid CAS Name: 2-[[[(2-carboxyphenyl)thio]-phenylmethyl]thio]benzoic acid IUPAC Name: 2-[(2-carboxyphenyl)sulfanyl-phenylmethyl]sulfanylbenzoic acid Traditional Name: 2-[[[(2-carboxyphenyl)thio]-phenyl-methyl]thio]benzoic acid Formula: C21H16O4S2 MolecularWeight: 396.47934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(SC2=CC=CC=C2C(=O)O)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(SC2=CC=CC=C2C(=O)O)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H16O4S2/c22-19(23)15-10-4-6-12-17(15)26-21(14-8-2-1-3-9-14)27-18-13-7-5-11-16(18)20(24)25/h1-13,21H,(H,22,23)(H,24,25)