2-methyl-2-(1-phenylsulfanylbut-3-enyl)cyclohexan-1-one

Systemtic Name: 2-methyl-2-(1-phenylsulfanylbut-3-enyl)cyclohexan-1-one Openeye Name: 2-methyl-2-(1-phenylsulfanylbut-3-enyl)cyclohexanone CAS Name: 2-methyl-2-[1-(phenylthio)but-3-enyl]-1-cyclohexanone IUPAC Name: 2-methyl-2-(1-phenylsulfanylbut-3-enyl)cyclohexan-1-one Traditional Name: 2-methyl-2-[1-(phenylthio)but-3-enyl]cyclohexanone Formula: C17H22OS MolecularWeight: 274.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1=O)C(CC=C)SC2=CC=CC=C2

Isomeric SMILES

CC1(CCCCC1=O)C(CC=C)SC2=CC=CC=C2

InChI

InChI=1S/C17H22OS/c1-3-9-16(19-14-10-5-4-6-11-14)17(2)13-8-7-12-15(17)18/h3-6,10-11,16H,1,7-9,12-13H2,2H3