7-methylbenzo[a]pyrene-3,6-dione

Systemtic Name: 7-methylbenzo[a]pyrene-3,6-dione Openeye Name: 7-methylbenzo[a]pyrene-3,6-dione CAS Name: 7-methylbenzo[a]pyrene-3,6-dione IUPAC Name: 7-methylbenzo[a]pyrene-3,6-dione Traditional Name: 7-methylbenzo[a]pyrene-3,6-quinone Formula: C21H12O2 MolecularWeight: 296.31878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)C3=CC=C4C(=O)C=CC5=C4C3=C2C=C5

Isomeric SMILES

CC1=CC=CC2=C1C(=O)C3=CC=C4C(=O)C=CC5=C4C3=C2C=C5

InChI

InChI=1S/C21H12O2/c1-11-3-2-4-13-14-7-5-12-6-10-17(22)15-8-9-16(20(14)19(12)15)21(23)18(11)13/h2-10H,1H3