3-[[4-[4-[(3-carboxyphenyl)methylsulfanyl]phenyl]sulfanylphenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-[4-[(3-carboxyphenyl)methylsulfanyl]phenyl]sulfanylphenyl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-[4-[(3-carboxyphenyl)methylsulfanyl]phenyl]sulfanylphenyl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-[[4-[(3-carboxyphenyl)methylthio]phenyl]thio]phenyl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-[4-[(3-carboxyphenyl)methylsulfanyl]phenyl]sulfanylphenyl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-[[4-[(3-carboxybenzyl)thio]phenyl]thio]phenyl]thio]methyl]benzoic acid Formula: C28H22O4S3 MolecularWeight: 518.66688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=CC=C(C=C2)SC3=CC=C(C=C3)SCC4=CC=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=CC=C(C=C2)SC3=CC=C(C=C3)SCC4=CC=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C28H22O4S3/c29-27(30)21-5-1-3-19(15-21)17-33-23-7-11-25(12-8-23)35-26-13-9-24(10-14-26)34-18-20-4-2-6-22(16-20)28(31)32/h1-16H,17-18H2,(H,29,30)(H,31,32)