9-pyren-1-ylbenzo[a]pyrene

Systemtic Name: 9-pyren-1-ylbenzo[a]pyrene Openeye Name: 9-pyren-1-ylbenzo[a]pyrene CAS Name: 9-(1-pyrenyl)benzo[a]pyrene IUPAC Name: 9-pyren-1-ylbenzo[a]pyrene Traditional Name: 9-pyren-1-ylbenzo[a]pyrene Formula: C36H20 MolecularWeight: 452.544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC6=C(C=C5)C=C7C=CC8=C9C7=C6C=CC9=CC=C8

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC6=C(C=C5)C=C7C=CC8=C9C7=C6C=CC9=CC=C8

InChI

InChI=1S/C36H20/c1-3-21-7-8-25-13-16-29(30-17-14-23(5-1)33(21)35(25)30)27-11-10-26-19-28-12-9-22-4-2-6-24-15-18-31(32(26)20-27)36(28)34(22)24/h1-20H