3-methylsulfanyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-1-one; propane-1,2-diol

Systemtic Name: 3-methylsulfanyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-1-one; propane-1,2-diol Openeye Name: 3-methylsulfanyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-1-one; propane-1,2-diol CAS Name: 3-(methylthio)-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)-1-butanone; propane-1,2-diol IUPAC Name: 3-methylsulfanyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-1-one; propane-1,2-diol Traditional Name: 3-(methylthio)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-1-one; propane-1,2-diol Formula: C17H30O3S MolecularWeight: 314.4833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC=C1)(C)C)C(=O)CC(C)SC.CC(CO)O

Isomeric SMILES

CC1=C(C(CC=C1)(C)C)C(=O)CC(C)SC.CC(CO)O

InChI

InChI=1S/C14H22OS.C3H8O2/c1-10-7-6-8-14(3,4)13(10)12(15)9-11(2)16-5;1-3(5)2-4/h6-7,11H,8-9H2,1-5H3;3-5H,2H2,1H3