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3,8-dinitrobenzo[e]pyrene

3,8-dinitrobenzo[e]pyrene

Systemtic Name:3,8-dinitrobenzo[e]pyrene
Openeye Name:3,8-dinitrobenzo[e]pyrene
CAS Name:3,8-dinitrobenzo[e]pyrene
IUPAC Name:3,8-dinitrobenzo[e]pyrene
Traditional Name:3,8-dinitrobenzo[e]pyrene
Formula: C20H10N2O4
MolecularWeight: 342.3044
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC5=C4C2=C(C=C5)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC5=C4C2=C(C=C5)[N+](=O)[O-]


InChI

InChI=1S/C20H10N2O4/c23-21(24)16-10-8-14-12-3-1-2-4-13(12)20-17(22(25)26)9-6-11-5-7-15(16)19(14)18(11)20/h1-10H


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