2-(3-methyl-1-phenylsulfanyl-but-2-enyl)cyclohexan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(C1CCCCC1=O)SC2=CC=CC=C2)C

Isomeric SMILES

CC(=CC(C1CCCCC1=O)SC2=CC=CC=C2)C

InChI

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