4-chloranyl-4-phenyl-3-phenylsulfanyl-butanoic acid

Systemtic Name: 4-chloranyl-4-phenyl-3-phenylsulfanyl-butanoic acid Openeye Name: 4-chloro-4-phenyl-3-phenylsulfanyl-butanoic acid CAS Name: 4-chloro-4-phenyl-3-(phenylthio)butanoic acid IUPAC Name: 4-chloro-4-phenyl-3-phenylsulfanylbutanoic acid Traditional Name: 4-chloro-4-phenyl-3-(phenylthio)butyric acid Formula: C16H15ClO2S MolecularWeight: 306.8071

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CC(=O)O)SC2=CC=CC=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C(CC(=O)O)SC2=CC=CC=C2)Cl

InChI

InChI=1S/C16H15ClO2S/c17-16(12-7-3-1-4-8-12)14(11-15(18)19)20-13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,18,19)