4,5-dimethyl-5-phenylsulfanyl-hexan-3-one

Systemtic Name: 4,5-dimethyl-5-phenylsulfanyl-hexan-3-one Openeye Name: 4,5-dimethyl-5-phenylsulfanyl-hexan-3-one CAS Name: 4,5-dimethyl-5-(phenylthio)-3-hexanone IUPAC Name: 4,5-dimethyl-5-phenylsulfanylhexan-3-one Traditional Name: 4,5-dimethyl-5-(phenylthio)hexan-3-one Formula: C14H20OS MolecularWeight: 236.373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20OS/c1-5-13(15)11(2)14(3,4)16-12-9-7-6-8-10-12/h6-11H,5H2,1-4H3