2-[(1R)-1-(4-chlorophenyl)-3-oxidanylidene-3-phenyl-propyl]sulfanylbenzoic acid

Systemtic Name: 2-[(1R)-1-(4-chlorophenyl)-3-oxidanylidene-3-phenyl-propyl]sulfanylbenzoic acid Openeye Name: 2-[(1R)-1-(4-chlorophenyl)-3-oxo-3-phenyl-propyl]sulfanylbenzoic acid CAS Name: 2-[[(1R)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]thio]benzoic acid IUPAC Name: 2-[(1R)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]sulfanylbenzoic acid Traditional Name: 2-[[(1R)-1-(4-chlorophenyl)-3-keto-3-phenyl-propyl]thio]benzoic acid Formula: C22H17ClO3S MolecularWeight: 396.88658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Cl)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[C@H](C2=CC=C(C=C2)Cl)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H17ClO3S/c23-17-12-10-16(11-13-17)21(14-19(24)15-6-2-1-3-7-15)27-20-9-5-4-8-18(20)22(25)26/h1-13,21H,14H2,(H,25,26)/t21-/m1/s1