2-[(2-carboxyphenyl)sulfanyl-(3-methoxy-4-oxidanyl-phenyl)methyl]sulfanylbenzoic acid

Systemtic Name: 2-[(2-carboxyphenyl)sulfanyl-(3-methoxy-4-oxidanyl-phenyl)methyl]sulfanylbenzoic acid Openeye Name: 2-[(2-carboxyphenyl)sulfanyl-(4-hydroxy-3-methoxy-phenyl)methyl]sulfanylbenzoic acid CAS Name: 2-[[[(2-carboxyphenyl)thio]-(4-hydroxy-3-methoxyphenyl)methyl]thio]benzoic acid IUPAC Name: 2-[(2-carboxyphenyl)sulfanyl-(4-hydroxy-3-methoxyphenyl)methyl]sulfanylbenzoic acid Traditional Name: 2-[[[(2-carboxyphenyl)thio]-(4-hydroxy-3-methoxy-phenyl)methyl]thio]benzoic acid Formula: C22H18O6S2 MolecularWeight: 442.50472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(SC2=CC=CC=C2C(=O)O)SC3=CC=CC=C3C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(SC2=CC=CC=C2C(=O)O)SC3=CC=CC=C3C(=O)O)O

InChI

InChI=1S/C22H18O6S2/c1-28-17-12-13(10-11-16(17)23)22(29-18-8-4-2-6-14(18)20(24)25)30-19-9-5-3-7-15(19)21(26)27/h2-12,22-23H,1H3,(H,24,25)(H,26,27)