6-(2,4-dichlorophenyl)-5-methyl-8-nitro-phenanthridin-5-ium; methyl hydrogen sulfate

Systemtic Name: 6-(2,4-dichlorophenyl)-5-methyl-8-nitro-phenanthridin-5-ium; methyl hydrogen sulfate Openeye Name: 6-(2,4-dichlorophenyl)-5-methyl-8-nitro-phenanthridin-5-ium; methyl hydrogen sulfate CAS Name: 6-(2,4-dichlorophenyl)-5-methyl-8-nitrophenanthridin-5-ium; sulfuric acid methyl ester IUPAC Name: 6-(2,4-dichlorophenyl)-5-methyl-8-nitrophenanthridin-5-ium; methyl hydrogen sulfate Traditional Name: 6-(2,4-dichlorophenyl)-5-methyl-8-nitro-phenanthridin-5-ium; sulfuric acid methyl ester Formula: C21H17Cl2N2O6S+ MolecularWeight: 496.34048

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C31)C4=C(C=C(C=C4)Cl)Cl.COS(=O)(=O)O

Isomeric SMILES

C[N+]1=C(C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C31)C4=C(C=C(C=C4)Cl)Cl.COS(=O)(=O)O

InChI

InChI=1S/C20H13Cl2N2O2.CH4O4S/c1-23-19-5-3-2-4-15(19)14-9-7-13(24(25)26)11-17(14)20(23)16-8-6-12(21)10-18(16)22;1-5-6(2,3)4/h2-11H,1H3;1H3,(H,2,3,4)/q+1;