2-ethanoyl-5-methoxy-4,6,6-trimethyl-cyclohex-4-ene-1,3-dione

Systemtic Name: 2-ethanoyl-5-methoxy-4,6,6-trimethyl-cyclohex-4-ene-1,3-dione Openeye Name: 2-acetyl-5-methoxy-4,6,6-trimethyl-cyclohex-4-ene-1,3-dione CAS Name: 2-acetyl-5-methoxy-4,6,6-trimethylcyclohex-4-ene-1,3-dione IUPAC Name: 2-acetyl-5-methoxy-4,6,6-trimethylcyclohex-4-ene-1,3-dione Traditional Name: 2-acetyl-5-methoxy-4,6,6-trimethyl-cyclohex-4-ene-1,3-quinone Formula: C12H16O4 MolecularWeight: 224.25304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)C(C1=O)C(=O)C)(C)C)OC

Isomeric SMILES

CC1=C(C(C(=O)C(C1=O)C(=O)C)(C)C)OC

InChI

InChI=1S/C12H16O4/c1-6-9(14)8(7(2)13)10(15)12(3,4)11(6)16-5/h8H,1-5H3