1-phenylsulfanylethyl 4-chloranyl-3-oxidanylidene-butanoate

Systemtic Name: 1-phenylsulfanylethyl 4-chloranyl-3-oxidanylidene-butanoate Openeye Name: 1-phenylsulfanylethyl 4-chloro-3-oxo-butanoate CAS Name: 4-chloro-3-oxobutanoic acid 1-(phenylthio)ethyl ester IUPAC Name: 1-phenylsulfanylethyl 4-chloro-3-oxobutanoate Traditional Name: 4-chloro-3-keto-butyric acid 1-(phenylthio)ethyl ester Formula: C12H13ClO3S MolecularWeight: 272.74782

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)CC(=O)CCl)SC1=CC=CC=C1

Isomeric SMILES

CC(OC(=O)CC(=O)CCl)SC1=CC=CC=C1

InChI

InChI=1S/C12H13ClO3S/c1-9(16-12(15)7-10(14)8-13)17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3