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

Systemtic Name: hydrogen sulfate; 3-phenyl-5-(2,4,7-trinitro-9H-fluoren-9-yl)-1,2-dithiol-2-ium Openeye Name: hydrogen sulfate; 3-phenyl-5-(2,4,7-trinitro-9H-fluoren-9-yl)dithiol-2-ium CAS Name: hydrogen sulfate; 3-phenyl-5-(2,4,7-trinitro-9H-fluoren-9-yl)dithiol-2-ium IUPAC Name: hydrogen sulfate; 3-phenyl-5-(2,4,7-trinitro-9H-fluoren-9-yl)dithiol-2-ium Traditional Name: 3-phenyl-5-(2,4,7-trinitro-9H-fluoren-9-yl)dithiol-2-ium bisulfate Formula: C22H13N3O10S3 MolecularWeight: 575.54772

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H12N3O6S2.H2O4S/c26-23(27)13-6-7-15-16(8-13)22(20-11-19(32-33-20)12-4-2-1-3-5-12)17-9-14(24(28)29)10-18(21(15)17)25(30)31;1-5(2,3)4/h1-11,22H;(H2,1,2,3,4)/q+1;/p-1