9-phenylbenzo[b]quinolizin-5-ium; 2,4,6-trinitrophenol

Systemtic Name: 9-phenylbenzo[b]quinolizin-5-ium; 2,4,6-trinitrophenol Openeye Name: 9-phenylbenzo[b]quinolizin-5-ium; picric acid CAS Name: 9-phenylbenzo[b]quinolizin-5-ium; 2,4,6-trinitrophenol IUPAC Name: 9-phenylbenzo[b]quinolizin-5-ium; 2,4,6-trinitrophenol Traditional Name: 9-phenylbenzo[b]quinolizin-5-ium; picric acid Formula: C25H17N4O7+ MolecularWeight: 485.42508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=CC4=CC=CC=[N+]4C=C3C=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=CC4=CC=CC=[N+]4C=C3C=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H14N.C6H3N3O7/c1-2-6-15(7-3-1)16-9-10-17-14-20-11-5-4-8-19(20)13-18(17)12-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-14H;1-2,10H/q+1;