1H-benzimidazol-3-ium; 4,5-dinitro-9-oxidanylidene-fluorene-2,7-disulfonate

Systemtic Name: 1H-benzimidazol-3-ium; 4,5-dinitro-9-oxidanylidene-fluorene-2,7-disulfonate Openeye Name: 1H-benzimidazol-3-ium; 4,5-dinitro-9-oxo-fluorene-2,7-disulfonate CAS Name: 1H-benzimidazol-3-ium; 4,5-dinitro-9-oxofluorene-2,7-disulfonate IUPAC Name: 1H-benzimidazol-3-ium; 4,5-dinitro-9-oxofluorene-2,7-disulfonate Traditional Name: 1H-benzimidazol-3-ium; 9-keto-4,5-dinitro-fluorene-2,7-disulfonate Formula: C27H18N6O11S2 MolecularWeight: 666.59542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[NH+]2.C1=CC=C2C(=C1)NC=[NH+]2.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)S(=O)(=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC=[NH+]2.C1=CC=C2C(=C1)NC=[NH+]2.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)S(=O)(=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C13H6N2O11S2.2C7H6N2/c16-13-7-1-5(27(21,22)23)3-9(14(17)18)11(7)12-8(13)2-6(28(24,25)26)4-10(12)15(19)20;2*1-2-4-7-6(3-1)8-5-9-7/h1-4H,(H,21,22,23)(H,24,25,26);2*1-5H,(H,8,9)