2-[4-(4-chlorophenyl)phenyl]-4-oxidanyl-2-(phenylsulfanylmethyl)butanoic acid

Systemtic Name: 2-[4-(4-chlorophenyl)phenyl]-4-oxidanyl-2-(phenylsulfanylmethyl)butanoic acid Openeye Name: 2-[4-(4-chlorophenyl)phenyl]-4-hydroxy-2-(phenylsulfanylmethyl)butanoic acid CAS Name: 2-[4-(4-chlorophenyl)phenyl]-4-hydroxy-2-[(phenylthio)methyl]butanoic acid IUPAC Name: 2-[4-(4-chlorophenyl)phenyl]-4-hydroxy-2-(phenylsulfanylmethyl)butanoic acid Traditional Name: 2-[4-(4-chlorophenyl)phenyl]-4-hydroxy-2-[(phenylthio)methyl]butyric acid Formula: C23H21ClO3S MolecularWeight: 412.92904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(CCO)(C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(CCO)(C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H21ClO3S/c24-20-12-8-18(9-13-20)17-6-10-19(11-7-17)23(14-15-25,22(26)27)16-28-21-4-2-1-3-5-21/h1-13,25H,14-16H2,(H,26,27)