9-(dicyanomethylidene)-4,5-dinitro-fluorene-2,7-disulfonic acid; 4-methylpiperidine

Systemtic Name: 9-(dicyanomethylidene)-4,5-dinitro-fluorene-2,7-disulfonic acid; 4-methylpiperidine Openeye Name: 9-(dicyanomethylene)-4,5-dinitro-fluorene-2,7-disulfonic acid; 4-methylpiperidine CAS Name: 9-(dicyanomethylidene)-4,5-dinitrofluorene-2,7-disulfonic acid; 4-methylpiperidine IUPAC Name: 9-(dicyanomethylidene)-4,5-dinitrofluorene-2,7-disulfonic acid; 4-methylpiperidine Traditional Name: 9-(dicyanomethylene)-4,5-dinitro-fluorene-2,7-disulfonic acid; 4-pipecoline Formula: C28H32N6O10S2 MolecularWeight: 676.71788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCNCC1.CC1CCNCC1.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=C(C#N)C#N)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1CCNCC1.CC1CCNCC1.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=C(C#N)C#N)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C16H6N4O10S2.2C6H13N/c17-5-7(6-18)14-10-1-8(31(25,26)27)3-12(19(21)22)15(10)16-11(14)2-9(32(28,29)30)4-13(16)20(23)24;2*1-6-2-4-7-5-3-6/h1-4H,(H,25,26,27)(H,28,29,30);2*6-7H,2-5H2,1H3