5-ethyl-3,8-dinitro-6-phenyl-phenanthridin-5-ium; ethyl sulfate

Systemtic Name: 5-ethyl-3,8-dinitro-6-phenyl-phenanthridin-5-ium; ethyl sulfate Openeye Name: 5-ethyl-3,8-dinitro-6-phenyl-phenanthridin-5-ium; ethyl sulfate CAS Name: 5-ethyl-3,8-dinitro-6-phenylphenanthridin-5-ium; ethyl sulfate IUPAC Name: 5-ethyl-3,8-dinitro-6-phenylphenanthridin-5-ium; ethyl sulfate Traditional Name: 5-ethyl-3,8-dinitro-6-phenyl-phenanthridin-5-ium; ethyl sulfate Formula: C23H21N3O8S MolecularWeight: 499.49314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N3O4.C2H6O4S/c1-2-22-20-13-16(24(27)28)9-11-18(20)17-10-8-15(23(25)26)12-19(17)21(22)14-6-4-3-5-7-14;1-2-6-7(3,4)5/h3-13H,2H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1