4-methylbenzo[a]pyrene

Systemtic Name: 4-methylbenzo[a]pyrene Openeye Name: 4-methylbenzo[a]pyrene CAS Name: 4-methylbenzo[a]pyrene IUPAC Name: 4-methylbenzo[a]pyrene Traditional Name: 4-methylbenzo[a]pyrene Formula: C21H14 MolecularWeight: 266.33586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=CC=CC=C3C4=C2C5=C(C=CC=C15)C=C4

Isomeric SMILES

CC1=CC2=CC3=CC=CC=C3C4=C2C5=C(C=CC=C15)C=C4

InChI

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