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6-nitrobenzo[a]pyrene-3,9-diol

6-nitrobenzo[a]pyrene-3,9-diol

Systemtic Name:6-nitrobenzo[a]pyrene-3,9-diol
Openeye Name:6-nitrobenzo[a]pyrene-3,9-diol
CAS Name:6-nitrobenzo[a]pyrene-3,9-diol
IUPAC Name:6-nitrobenzo[a]pyrene-3,9-diol
Traditional Name:6-nitrobenzo[a]pyrene-3,9-diol
Formula: C20H11NO4
MolecularWeight: 329.30564
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C=C(C=CC3=C(C4=C2C5=C1C=CC(=C5C=C4)O)[N+](=O)[O-])O


Isomeric SMILES

C1=CC2=C3C=C(C=CC3=C(C4=C2C5=C1C=CC(=C5C=C4)O)[N+](=O)[O-])O


InChI

InChI=1S/C20H11NO4/c22-11-3-5-13-16(9-11)12-4-1-10-2-8-17(23)14-6-7-15(19(12)18(10)14)20(13)21(24)25/h1-9,22-23H


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