1,1,4-tris(chloranyl)-3,3-dimethyl-1-phenylsulfanyl-butan-2-one

Systemtic Name: 1,1,4-tris(chloranyl)-3,3-dimethyl-1-phenylsulfanyl-butan-2-one Openeye Name: 1,1,4-trichloro-3,3-dimethyl-1-phenylsulfanyl-butan-2-one CAS Name: 1,1,4-trichloro-3,3-dimethyl-1-(phenylthio)-2-butanone IUPAC Name: 1,1,4-trichloro-3,3-dimethyl-1-phenylsulfanylbutan-2-one Traditional Name: 1,1,4-trichloro-3,3-dimethyl-1-(phenylthio)butan-2-one Formula: C12H13Cl3OS MolecularWeight: 311.65502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl3OS/c1-11(2,8-13)10(16)12(14,15)17-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3