7-oxidanylidene-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylic acid

Systemtic Name: 7-oxidanylidene-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylic acid Openeye Name: 7-oxo-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylic acid CAS Name: 7-oxo-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylic acid IUPAC Name: 7-oxo-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylic acid Traditional Name: 7-keto-9,10-dihydro-8H-benzo[a]pyrene-10-carboxylic acid Formula: C21H14O3 MolecularWeight: 314.33406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2=C(C1C(=O)O)C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3

Isomeric SMILES

C1CC(=O)C2=C(C1C(=O)O)C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3

InChI

InChI=1S/C21H14O3/c22-17-9-8-15(21(23)24)20-14-7-6-12-3-1-2-11-4-5-13(10-16(17)20)19(14)18(11)12/h1-7,10,15H,8-9H2,(H,23,24)