(5-methanoyl-2,4,4-trimethyl-cyclohexa-2,5-dien-1-yl) ethanoate

Systemtic Name: (5-methanoyl-2,4,4-trimethyl-cyclohexa-2,5-dien-1-yl) ethanoate Openeye Name: (5-formyl-2,4,4-trimethyl-cyclohexa-2,5-dien-1-yl) acetate CAS Name: acetic acid (5-formyl-2,4,4-trimethyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (5-formyl-2,4,4-trimethylcyclohexa-2,5-dien-1-yl) acetate Traditional Name: acetic acid (5-formyl-2,4,4-trimethyl-cyclohexa-2,5-dien-1-yl) ester Formula: C12H16O3 MolecularWeight: 208.25364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=CC1OC(=O)C)C=O)(C)C

Isomeric SMILES

CC1=CC(C(=CC1OC(=O)C)C=O)(C)C

InChI

InChI=1S/C12H16O3/c1-8-6-12(3,4)10(7-13)5-11(8)15-9(2)14/h5-7,11H,1-4H3