ethyl 7-oxidanylidene-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylate

Systemtic Name: ethyl 7-oxidanylidene-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylate Openeye Name: ethyl 7-oxo-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylate CAS Name: 7-oxo-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylic acid ethyl ester IUPAC Name: ethyl 7-oxo-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylate Traditional Name: 7-keto-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylic acid ethyl ester Formula: C23H18O3 MolecularWeight: 342.38722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(=O)C2=C1C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3

Isomeric SMILES

CCOC(=O)C1CCC(=O)C2=C1C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3

InChI

InChI=1S/C23H18O3/c1-2-26-23(25)17-10-11-19(24)18-12-15-7-6-13-4-3-5-14-8-9-16(22(17)18)21(15)20(13)14/h3-9,12,17H,2,10-11H2,1H3