4,5-dinitro-9-oxidanylidene-fluorene-2,7-disulfonate; quinolin-1-ium

Systemtic Name: 4,5-dinitro-9-oxidanylidene-fluorene-2,7-disulfonate; quinolin-1-ium Openeye Name: 4,5-dinitro-9-oxo-fluorene-2,7-disulfonate; quinolin-1-ium CAS Name: 4,5-dinitro-9-oxofluorene-2,7-disulfonate; quinolin-1-ium IUPAC Name: 4,5-dinitro-9-oxofluorene-2,7-disulfonate; quinolin-1-ium Traditional Name: 9-keto-4,5-dinitro-fluorene-2,7-disulfonate; quinolin-1-ium Formula: C31H20N4O11S2 MolecularWeight: 688.6407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[NH+]2.C1=CC=C2C(=C1)C=CC=[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)C=CC=[NH+]2.C1=CC=C2C(=C1)C=CC=[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/C13H6N2O11S2.2C9H7N/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*1-2-6-9-8(4-1)5-3-7-10-9/h1-4H,(H,21,22,23)(H,24,25,26);2*1-7H