3,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene

Systemtic Name: 3,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene Openeye Name: 3,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene CAS Name: 3,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene IUPAC Name: 3,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene Traditional Name: 3,8-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene Formula: C20H14N2O4 MolecularWeight: 346.33616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC5=C4C2=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC5=C4C2=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O4/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/h5-10H,1-4H2