3-methylsulfanyl-1-(2,2,6-trimethylcyclohexyl)butan-1-one

Systemtic Name: 3-methylsulfanyl-1-(2,2,6-trimethylcyclohexyl)butan-1-one Openeye Name: 3-methylsulfanyl-1-(2,2,6-trimethylcyclohexyl)butan-1-one CAS Name: 3-(methylthio)-1-(2,2,6-trimethylcyclohexyl)-1-butanone IUPAC Name: 3-methylsulfanyl-1-(2,2,6-trimethylcyclohexyl)butan-1-one Traditional Name: 3-(methylthio)-1-(2,2,6-trimethylcyclohexyl)butan-1-one Formula: C14H26OS MolecularWeight: 242.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C(=O)CC(C)SC)(C)C

Isomeric SMILES

CC1CCCC(C1C(=O)CC(C)SC)(C)C

InChI

InChI=1S/C14H26OS/c1-10-7-6-8-14(3,4)13(10)12(15)9-11(2)16-5/h10-11,13H,6-9H2,1-5H3