ethyl 4-chloranyl-4-phenylsulfanyl-butanoate

Systemtic Name: ethyl 4-chloranyl-4-phenylsulfanyl-butanoate Openeye Name: ethyl 4-chloro-4-phenylsulfanyl-butanoate CAS Name: 4-chloro-4-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 4-chloro-4-phenylsulfanylbutanoate Traditional Name: 4-chloro-4-(phenylthio)butyric acid ethyl ester Formula: C12H15ClO2S MolecularWeight: 258.7643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(SC1=CC=CC=C1)Cl

Isomeric SMILES

CCOC(=O)CCC(SC1=CC=CC=C1)Cl

InChI

InChI=1S/C12H15ClO2S/c1-2-15-12(14)9-8-11(13)16-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3