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3-(5-methyl-3,8-dinitro-phenanthridin-5-ium-6-yl)benzoic acid

3-(5-methyl-3,8-dinitro-phenanthridin-5-ium-6-yl)benzoic acid

Systemtic Name:3-(5-methyl-3,8-dinitro-phenanthridin-5-ium-6-yl)benzoic acid
Openeye Name:3-(5-methyl-3,8-dinitro-phenanthridin-5-ium-6-yl)benzoic acid
CAS Name:3-(5-methyl-3,8-dinitro-6-phenanthridin-5-iumyl)benzoic acid
IUPAC Name:3-(5-methyl-3,8-dinitrophenanthridin-5-ium-6-yl)benzoic acid
Traditional Name:3-(5-methyl-3,8-dinitro-phenanthridin-5-ium-6-yl)benzoic acid
Formula: C21H14N3O6+
MolecularWeight: 404.35236
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC(=CC=C4)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC(=CC=C4)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C21H13N3O6/c1-22-19-11-15(24(29)30)6-8-17(19)16-7-5-14(23(27)28)10-18(16)20(22)12-3-2-4-13(9-12)21(25)26/h2-11H,1H3/p+1


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