9-methylbenzo[a]pyrene

Systemtic Name: 9-methylbenzo[a]pyrene Openeye Name: 9-methylbenzo[a]pyrene CAS Name: 9-methylbenzo[a]pyrene IUPAC Name: 9-methylbenzo[a]pyrene Traditional Name: 9-methylbenzo[a]pyrene Formula: C21H14 MolecularWeight: 266.33586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C3C=CC4=C5C3=C2C=CC5=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C=C3C=CC4=C5C3=C2C=CC5=CC=C4

InChI

InChI=1S/C21H14/c1-13-5-6-16-12-17-8-7-14-3-2-4-15-9-10-18(19(16)11-13)21(17)20(14)15/h2-12H,1H3