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6-nitrobenzo[a]pyren-7-ol

6-nitrobenzo[a]pyren-7-ol

Systemtic Name:6-nitrobenzo[a]pyren-7-ol
Openeye Name:6-nitrobenzo[a]pyren-7-ol
CAS Name:6-nitro-7-benzo[a]pyrenol
IUPAC Name:6-nitrobenzo[a]pyren-7-ol
Traditional Name:6-nitrobenzo[a]pyren-7-ol
Formula: C20H11NO3
MolecularWeight: 313.30624
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=C5C=CC=C(C5=C4[N+](=O)[O-])O)C=C2


Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=C5C=CC=C(C5=C4[N+](=O)[O-])O)C=C2


InChI

InChI=1S/C20H11NO3/c22-16-6-2-5-13-14-9-7-11-3-1-4-12-8-10-15(18(14)17(11)12)20(19(13)16)21(23)24/h1-10,22H


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