4-chloranyl-3,3-dimethyl-1-phenylsulfanyl-butan-2-one

Systemtic Name: 4-chloranyl-3,3-dimethyl-1-phenylsulfanyl-butan-2-one Openeye Name: 4-chloro-3,3-dimethyl-1-phenylsulfanyl-butan-2-one CAS Name: 4-chloro-3,3-dimethyl-1-(phenylthio)-2-butanone IUPAC Name: 4-chloro-3,3-dimethyl-1-phenylsulfanylbutan-2-one Traditional Name: 4-chloro-3,3-dimethyl-1-(phenylthio)butan-2-one Formula: C12H15ClOS MolecularWeight: 242.7649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCl)C(=O)CSC1=CC=CC=C1

Isomeric SMILES

CC(C)(CCl)C(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C12H15ClOS/c1-12(2,9-13)11(14)8-15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3