2-methylpropyl 2-(6-methyl-7-oxidanylidene-cyclohepta-2,4-dien-1-yl)ethanoate

Systemtic Name: 2-methylpropyl 2-(6-methyl-7-oxidanylidene-cyclohepta-2,4-dien-1-yl)ethanoate Openeye Name: isobutyl 2-(6-methyl-7-oxo-cyclohepta-2,4-dien-1-yl)acetate CAS Name: 2-(6-methyl-7-oxo-1-cyclohepta-2,4-dienyl)acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(6-methyl-7-oxocyclohepta-2,4-dien-1-yl)acetate Traditional Name: 2-(7-keto-6-methyl-cyclohepta-2,4-dien-1-yl)acetic acid isobutyl ester Formula: C14H20O3 MolecularWeight: 236.3068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=CC(C1=O)CC(=O)OCC(C)C

Isomeric SMILES

CC1C=CC=CC(C1=O)CC(=O)OCC(C)C

InChI

InChI=1S/C14H20O3/c1-10(2)9-17-13(15)8-12-7-5-4-6-11(3)14(12)16/h4-7,10-12H,8-9H2,1-3H3