hydrogen sulfate; 5-phenyl-2-(2,4,7-trinitro-9H-fluoren-9-yl)-1,3-thiaselenol-3-ium

Systemtic Name: hydrogen sulfate; 5-phenyl-2-(2,4,7-trinitro-9H-fluoren-9-yl)-1,3-thiaselenol-3-ium Openeye Name: hydrogen sulfate; 5-phenyl-2-(2,4,7-trinitro-9H-fluoren-9-yl)-1,3-thiaselenol-3-ium CAS Name: hydrogen sulfate; 5-phenyl-2-(2,4,7-trinitro-9H-fluoren-9-yl)-1,3-thiaselenol-3-ium IUPAC Name: hydrogen sulfate; 5-phenyl-2-(2,4,7-trinitro-9H-fluoren-9-yl)-1,3-thiaselenol-3-ium Traditional Name: 5-phenyl-2-(2,4,7-trinitro-9H-fluoren-9-yl)-1,3-thiaselenol-3-ium bisulfate Formula: C22H13N3O10S2Se MolecularWeight: 622.44272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C[Se+]=C(S2)C3C4=CC(=CC(=C4C5=C3C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].OS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C[Se+]=C(S2)C3C4=CC(=CC(=C4C5=C3C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].OS(=O)(=O)[O-]

InChI

InChI=1S/C22H12N3O6SSe.H2O4S/c26-23(27)13-6-7-15-16(8-13)21(22-32-19(11-33-22)12-4-2-1-3-5-12)17-9-14(24(28)29)10-18(20(15)17)25(30)31;1-5(2,3)4/h1-11,21H;(H2,1,2,3,4)/q+1;/p-1