3-chloranylsulfonyl-4-(4-methylphenyl)sulfanyl-5-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-(4-methylphenyl)sulfanyl-5-(phenylmethylsulfanyl)benzoic acid Openeye Name: 3-benzylsulfanyl-5-chlorosulfonyl-4-(p-tolylsulfanyl)benzoic acid CAS Name: 3-chlorosulfonyl-4-[(4-methylphenyl)thio]-5-(phenylmethylthio)benzoic acid IUPAC Name: 3-benzylsulfanyl-5-chlorosulfonyl-4-(4-methylphenyl)sulfanylbenzoic acid Traditional Name: 3-(benzylthio)-5-chlorosulfonyl-4-(p-tolylthio)benzoic acid Formula: C21H17ClO4S3 MolecularWeight: 465.00528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2S(=O)(=O)Cl)C(=O)O)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2S(=O)(=O)Cl)C(=O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C21H17ClO4S3/c1-14-7-9-17(10-8-14)28-20-18(27-13-15-5-3-2-4-6-15)11-16(21(23)24)12-19(20)29(22,25)26/h2-12H,13H2,1H3,(H,23,24)