2-methylpropyl 7-oxidanylidenebenzo[7]annulene-6-carboxylate

Systemtic Name: 2-methylpropyl 7-oxidanylidenebenzo[7]annulene-6-carboxylate Openeye Name: isobutyl 7-oxobenzo[7]annulene-6-carboxylate CAS Name: 7-oxo-6-benzo[7]annulenecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 7-oxobenzo[7]annulene-6-carboxylate Traditional Name: 7-ketobenzocycloheptene-6-carboxylic acid isobutyl ester Formula: C16H16O3 MolecularWeight: 256.29644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC2=CC=CC=C2C=CC1=O

Isomeric SMILES

CC(C)COC(=O)C1=CC2=CC=CC=C2C=CC1=O

InChI

InChI=1S/C16H16O3/c1-11(2)10-19-16(18)14-9-13-6-4-3-5-12(13)7-8-15(14)17/h3-9,11H,10H2,1-2H3