methyl 4-chloranyl-4-phenyl-3-phenylsulfanyl-butanoate

Systemtic Name: methyl 4-chloranyl-4-phenyl-3-phenylsulfanyl-butanoate Openeye Name: methyl 4-chloro-4-phenyl-3-phenylsulfanyl-butanoate CAS Name: 4-chloro-4-phenyl-3-(phenylthio)butanoic acid methyl ester IUPAC Name: methyl 4-chloro-4-phenyl-3-phenylsulfanylbutanoate Traditional Name: 4-chloro-4-phenyl-3-(phenylthio)butyric acid methyl ester Formula: C17H17ClO2S MolecularWeight: 320.83368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClO2S/c1-20-16(19)12-15(21-14-10-6-3-7-11-14)17(18)13-8-4-2-5-9-13/h2-11,15,17H,12H2,1H3