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

Systemtic Name: 2-(2,4,7-trinitro-9H-fluoren-9-yl)-1,3-benzodithiol-3-ium Openeye Name: 2-(2,4,7-trinitro-9H-fluoren-9-yl)-1,3-benzodithiol-3-ium CAS Name: 2-(2,4,7-trinitro-9H-fluoren-9-yl)-1,3-benzodithiol-3-ium IUPAC Name: 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 Formula: C20H10N3O6S2+ MolecularWeight: 452.4399

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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-]

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-]

InChI

InChI=1S/C20H10N3O6S2/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/h1-9,19H/q+1