(E)-1-(4,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one

Systemtic Name: (E)-1-(4,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one Openeye Name: (E)-1-(4,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one CAS Name: (E)-1-(4,6,6-trimethyl-1-cyclohexenyl)-2-buten-1-one IUPAC Name: (E)-1-(4,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one Traditional Name: (E)-1-(4,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one Formula: C13H20O MolecularWeight: 192.2973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1=CCC(CC1(C)C)C

Isomeric SMILES

C/C=C/C(=O)C1=CCC(CC1(C)C)C

InChI

InChI=1S/C13H20O/c1-5-6-12(14)11-8-7-10(2)9-13(11,3)4/h5-6,8,10H,7,9H2,1-4H3/b6-5+