5-methyl-2-phenylsulfanyl-4-prop-2-enyl-cyclohexan-1-one

Systemtic Name: 5-methyl-2-phenylsulfanyl-4-prop-2-enyl-cyclohexan-1-one Openeye Name: 4-allyl-5-methyl-2-phenylsulfanyl-cyclohexanone CAS Name: 5-methyl-2-(phenylthio)-4-prop-2-enyl-1-cyclohexanone IUPAC Name: 5-methyl-2-phenylsulfanyl-4-prop-2-enylcyclohexan-1-one Traditional Name: 4-allyl-5-methyl-2-(phenylthio)cyclohexanone Formula: C16H20OS MolecularWeight: 260.3944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(CC1CC=C)SC2=CC=CC=C2

Isomeric SMILES

CC1CC(=O)C(CC1CC=C)SC2=CC=CC=C2

InChI

InChI=1S/C16H20OS/c1-3-7-13-11-16(15(17)10-12(13)2)18-14-8-5-4-6-9-14/h3-6,8-9,12-13,16H,1,7,10-11H2,2H3