9,10-dihydrobenzo[a]pyrene-10-carboxylic acid

Systemtic Name: 9,10-dihydrobenzo[a]pyrene-10-carboxylic acid Openeye Name: 9,10-dihydrobenzo[a]pyrene-10-carboxylic acid CAS Name: 9,10-dihydrobenzo[a]pyrene-10-carboxylic acid IUPAC Name: 9,10-dihydrobenzo[a]pyrene-10-carboxylic acid Traditional Name: 9,10-dihydrobenzo[a]pyrene-10-carboxylic acid Formula: C21H14O2 MolecularWeight: 298.33466

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=C(C1C(=O)O)C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3

Isomeric SMILES

C1C=CC2=C(C1C(=O)O)C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3

InChI

InChI=1S/C21H14O2/c22-21(23)17-6-2-5-14-11-15-8-7-12-3-1-4-13-9-10-16(19(14)17)20(15)18(12)13/h1-5,7-11,17H,6H2,(H,22,23)