2-[(2-carboxyphenyl)sulfanyl-(4-chlorophenyl)methyl]sulfanylbenzoic acid

Systemtic Name: 2-[(2-carboxyphenyl)sulfanyl-(4-chlorophenyl)methyl]sulfanylbenzoic acid Openeye Name: 2-[(2-carboxyphenyl)sulfanyl-(4-chlorophenyl)methyl]sulfanylbenzoic acid CAS Name: 2-[[[(2-carboxyphenyl)thio]-(4-chlorophenyl)methyl]thio]benzoic acid IUPAC Name: 2-[(2-carboxyphenyl)sulfanyl-(4-chlorophenyl)methyl]sulfanylbenzoic acid Traditional Name: 2-[[[(2-carboxyphenyl)thio]-(4-chlorophenyl)methyl]thio]benzoic acid Formula: C21H15ClO4S2 MolecularWeight: 430.9244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC(C2=CC=C(C=C2)Cl)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC(C2=CC=C(C=C2)Cl)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H15ClO4S2/c22-14-11-9-13(10-12-14)21(27-17-7-3-1-5-15(17)19(23)24)28-18-8-4-2-6-16(18)20(25)26/h1-12,21H,(H,23,24)(H,25,26)