4-methyl-4-phenylsulfanyl-hept-6-en-3-one

Systemtic Name: 4-methyl-4-phenylsulfanyl-hept-6-en-3-one Openeye Name: 4-methyl-4-phenylsulfanyl-hept-6-en-3-one CAS Name: 4-methyl-4-(phenylthio)-6-hepten-3-one IUPAC Name: 4-methyl-4-phenylsulfanylhept-6-en-3-one Traditional Name: 4-methyl-4-(phenylthio)hept-6-en-3-one Formula: C14H18OS MolecularWeight: 234.35712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18OS/c1-4-11-14(3,13(15)5-2)16-12-9-7-6-8-10-12/h4,6-10H,1,5,11H2,2-3H3