3-sulfanyl-1-(2,6,6-trimethylcyclohexen-1-yl)butan-1-one

Systemtic Name: 3-sulfanyl-1-(2,6,6-trimethylcyclohexen-1-yl)butan-1-one Openeye Name: 3-sulfanyl-1-(2,6,6-trimethylcyclohexen-1-yl)butan-1-one CAS Name: 3-mercapto-1-(2,6,6-trimethyl-1-cyclohexenyl)-1-butanone IUPAC Name: 3-sulfanyl-1-(2,6,6-trimethylcyclohexen-1-yl)butan-1-one Traditional Name: 3-mercapto-1-(2,6,6-trimethylcyclohexen-1-yl)butan-1-one Formula: C13H22OS MolecularWeight: 226.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C(=O)CC(C)S

Isomeric SMILES

CC1=C(C(CCC1)(C)C)C(=O)CC(C)S

InChI

InChI=1S/C13H22OS/c1-9-6-5-7-13(3,4)12(9)11(14)8-10(2)15/h10,15H,5-8H2,1-4H3