2,4,4-trimethyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-2-en-1-one

Systemtic Name: 2,4,4-trimethyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-2-en-1-one Openeye Name: 2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one CAS Name: 2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enone IUPAC Name: 2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one Traditional Name: 3-[(E)-3-ketobut-1-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one Formula: C13H18O2 MolecularWeight: 206.28082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(CCC1=O)(C)C)/C=C/C(=O)C

InChI

InChI=1S/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6H,7-8H2,1-4H3/b6-5+