(5-oxidanylidene-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl) benzoate

Systemtic Name: (5-oxidanylidene-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl) benzoate Openeye Name: (5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl) benzoate CAS Name: benzoic acid (5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl) ester IUPAC Name: (5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl) benzoate Traditional Name: benzoic acid (5-keto-6,7,8,9-tetrahydrobenzocyclohepten-2-yl) ester Formula: C18H16O3 MolecularWeight: 280.31784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C2=C(C1)C=C(C=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)C2=C(C1)C=C(C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16O3/c19-17-9-5-4-8-14-12-15(10-11-16(14)17)21-18(20)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2