(E)-4-(5,5-dimethylcyclohexen-1-yl)but-3-enal

Systemtic Name: (E)-4-(5,5-dimethylcyclohexen-1-yl)but-3-enal Openeye Name: (E)-4-(5,5-dimethylcyclohexen-1-yl)but-3-enal CAS Name: (E)-4-(5,5-dimethyl-1-cyclohexenyl)-3-butenal IUPAC Name: (E)-4-(5,5-dimethylcyclohexen-1-yl)but-3-enal Traditional Name: (E)-4-(5,5-dimethylcyclohexen-1-yl)but-3-enal Formula: C12H18O MolecularWeight: 178.27072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O/c1-12(2)8-5-7-11(10-12)6-3-4-9-13/h3,6-7,9H,4-5,8,10H2,1-2H3/b6-3+