3,12-dimethylbenzo[a]pyrene

Systemtic Name: 3,12-dimethylbenzo[a]pyrene Openeye Name: 3,12-dimethylbenzo[a]pyrene CAS Name: 3,12-dimethylbenzo[a]pyrene IUPAC Name: 3,12-dimethylbenzo[a]pyrene Traditional Name: 3,12-dimethylbenzo[a]pyrene Formula: C22H16 MolecularWeight: 280.36244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=CC4=CC=CC=C4C5=CC(=C(C2=C35)C=C1)C

Isomeric SMILES

CC1=C2C=CC3=CC4=CC=CC=C4C5=CC(=C(C2=C35)C=C1)C

InChI

InChI=1S/C22H16/c1-13-7-9-18-14(2)11-20-19-6-4-3-5-15(19)12-16-8-10-17(13)22(18)21(16)20/h3-12H,1-2H3