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

Systemtic Name: hydrogen sulfate; 2-(2,4,7-trinitro-9H-fluoren-9-yl)-1,3-benzodithiol-3-ium Openeye Name: hydrogen sulfate; 2-(2,4,7-trinitro-9H-fluoren-9-yl)-1,3-benzodithiol-3-ium CAS Name: hydrogen sulfate; 2-(2,4,7-trinitro-9H-fluoren-9-yl)-1,3-benzodithiol-3-ium IUPAC Name: hydrogen sulfate; 2-(2,4,7-trinitro-9H-fluoren-9-yl)-1,3-benzodithiol-3-ium Traditional Name: 2-(2,4,7-trinitro-9H-fluoren-9-yl)-1,3-benzodithiol-3-ium bisulfate Formula: C20H11N3O10S3 MolecularWeight: 549.51044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC(=[S+]2)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=C2C(=C1)SC(=[S+]2)C3C4=CC(=CC(=C4C5=C3C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].OS(=O)(=O)[O-]

InChI

InChI=1S/C20H10N3O6S2.H2O4S/c24-21(25)10-5-6-12-13(7-10)19(20-30-16-3-1-2-4-17(16)31-20)14-8-11(22(26)27)9-15(18(12)14)23(28)29;1-5(2,3)4/h1-9,19H;(H2,1,2,3,4)/q+1;/p-1