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

Systemtic Name: tert-butyl 2-(6-methyl-7-oxidanylidene-cyclohepta-2,4-dien-1-yl)ethanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl 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)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H20O3/c1-10-7-5-6-8-11(13(10)16)9-12(15)17-14(2,3)4/h5-8,10-11H,9H2,1-4H3