2,3,6-trimethylcyclohexa-2,5-dien-1-one

Systemtic Name: 2,3,6-trimethylcyclohexa-2,5-dien-1-one Openeye Name: 2,3,6-trimethylcyclohexa-2,5-dien-1-one CAS Name: 2,3,6-trimethyl-1-cyclohexa-2,5-dienone IUPAC Name: 2,3,6-trimethylcyclohexa-2,5-dien-1-one Traditional Name: 2,3,6-trimethylcyclohexa-2,5-dien-1-one Formula: C9H12O MolecularWeight: 136.19098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CC1)C)C

Isomeric SMILES

CC1=C(C(=O)C(=CC1)C)C

InChI

InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h5H,4H2,1-3H3