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

Systemtic Name: hydrogen sulfate; 3-phenyl-5-(2,4,5,7-tetranitro-9H-fluoren-9-yl)-1,2-dithiol-2-ium Openeye Name: hydrogen sulfate; 3-phenyl-5-(2,4,5,7-tetranitro-9H-fluoren-9-yl)dithiol-2-ium CAS Name: hydrogen sulfate; 3-phenyl-5-(2,4,5,7-tetranitro-9H-fluoren-9-yl)dithiol-2-ium IUPAC Name: hydrogen sulfate; 3-phenyl-5-(2,4,5,7-tetranitro-9H-fluoren-9-yl)dithiol-2-ium Traditional Name: 3-phenyl-5-(2,4,5,7-tetranitro-9H-fluoren-9-yl)dithiol-2-ium bisulfate Formula: C22H12N4O12S3 MolecularWeight: 620.54528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[S+]SC(=C2)C3C4=CC(=CC(=C4C5=C(C=C(C=C35)[N+](=O)[O-])[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=C(C=C(C=C35)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].OS(=O)(=O)[O-]

InChI

InChI=1S/C22H11N4O8S2.H2O4S/c27-23(28)12-6-14-20(19-10-18(35-36-19)11-4-2-1-3-5-11)15-7-13(24(29)30)9-17(26(33)34)22(15)21(14)16(8-12)25(31)32;1-5(2,3)4/h1-10,20H;(H2,1,2,3,4)/q+1;/p-1