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9-(4-benzo[a]pyren-9-ylphenyl)benzo[a]pyrene

9-(4-benzo[a]pyren-9-ylphenyl)benzo[a]pyrene

Systemtic Name:9-(4-benzo[a]pyren-9-ylphenyl)benzo[a]pyrene
Openeye Name:9-(4-benzo[a]pyren-9-ylphenyl)benzo[a]pyrene
CAS Name:9-[4-(9-benzo[a]pyrenyl)phenyl]benzo[a]pyrene
IUPAC Name:9-(4-benzo[a]pyren-9-ylphenyl)benzo[a]pyrene
Traditional Name:9-(4-benzo[a]pyren-9-ylphenyl)benzo[a]pyrene
Formula: C46H26
MolecularWeight: 578.69864
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=C(C=C5)C6=CC=C(C=C6)C7=CC8=C(C=C7)C=C9C=CC1=C3C9=C8C=CC3=CC=C1)C=C2


Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=C(C=C5)C6=CC=C(C=C6)C7=CC8=C(C=C7)C=C9C=CC1=C3C9=C8C=CC3=CC=C1)C=C2


InChI

InChI=1S/C46H26/c1-3-29-11-17-37-23-35-15-13-33(25-41(35)39-21-19-31(5-1)43(29)45(37)39)27-7-9-28(10-8-27)34-14-16-36-24-38-18-12-30-4-2-6-32-20-22-40(42(36)26-34)46(38)44(30)32/h1-26H


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