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

Systemtic Name: 1-chloranyl-4,4-dimethyl-3-phenylsulfanyl-pentan-2-one Openeye Name: 1-chloro-4,4-dimethyl-3-phenylsulfanyl-pentan-2-one CAS Name: 1-chloro-4,4-dimethyl-3-(phenylthio)-2-pentanone IUPAC Name: 1-chloro-4,4-dimethyl-3-phenylsulfanylpentan-2-one Traditional Name: 1-chloro-4,4-dimethyl-3-(phenylthio)pentan-2-one Formula: C13H17ClOS MolecularWeight: 256.79148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClOS/c1-13(2,3)12(11(15)9-14)16-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3