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

Systemtic Name: 2-[(2-carboxyphenyl)sulfanyl-(2-chlorophenyl)methyl]sulfanylbenzoic acid Openeye Name: 2-[(2-carboxyphenyl)sulfanyl-(2-chlorophenyl)methyl]sulfanylbenzoic acid CAS Name: 2-[[[(2-carboxyphenyl)thio]-(2-chlorophenyl)methyl]thio]benzoic acid IUPAC Name: 2-[(2-carboxyphenyl)sulfanyl-(2-chlorophenyl)methyl]sulfanylbenzoic acid Traditional Name: 2-[[[(2-carboxyphenyl)thio]-(2-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(SC2=CC=CC=C2C(=O)O)SC3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

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

InChI

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