3-chloranylsulfonyl-4-(phenylcarbonyl)-5-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-(phenylcarbonyl)-5-(phenylmethylsulfanyl)benzoic acid Openeye Name: 4-benzoyl-3-benzylsulfanyl-5-chlorosulfonyl-benzoic acid CAS Name: 4-benzoyl-3-chlorosulfonyl-5-(phenylmethylthio)benzoic acid IUPAC Name: 4-benzoyl-3-benzylsulfanyl-5-chlorosulfonylbenzoic acid Traditional Name: 4-benzoyl-3-(benzylthio)-5-chlorosulfonyl-benzoic acid Formula: C21H15ClO5S2 MolecularWeight: 446.9238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H15ClO5S2/c22-29(26,27)18-12-16(21(24)25)11-17(28-13-14-7-3-1-4-8-14)19(18)20(23)15-9-5-2-6-10-15/h1-12H,13H2,(H,24,25)