3-[(E)-but-2-enoyl]-2,4,4-trimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[(E)-but-2-enoyl]-2,4,4-trimethyl-cyclohex-2-en-1-one Openeye Name: 3-[(E)-but-2-enoyl]-2,4,4-trimethyl-cyclohex-2-en-1-one CAS Name: 2,4,4-trimethyl-3-[(E)-1-oxobut-2-enyl]-1-cyclohex-2-enone IUPAC Name: 3-[(E)-but-2-enoyl]-2,4,4-trimethylcyclohex-2-en-1-one Traditional Name: 3-[(E)-but-2-enoyl]-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:

CC=CC(=O)C1=C(C(=O)CCC1(C)C)C

Isomeric SMILES

C/C=C/C(=O)C1=C(C(=O)CCC1(C)C)C

InChI

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