N2,N2,N7,N7-tetrakis-decyl-9-(dicyanomethylidene)-4,5-dinitro-fluorene-2,7-disulfonamide

Systemtic Name: N2,N2,N7,N7-tetrakis-decyl-9-(dicyanomethylidene)-4,5-dinitro-fluorene-2,7-disulfonamide Openeye Name: N2,N2,N7,N7-tetrakis-decyl-9-(dicyanomethylene)-4,5-dinitro-fluorene-2,7-disulfonamide CAS Name: N2,N2,N7,N7-tetrakis-decyl-9-(dicyanomethylidene)-4,5-dinitrofluorene-2,7-disulfonamide IUPAC Name: 2-N,2-N,7-N,7-N-tetrakis-decyl-9-(dicyanomethylidene)-4,5-dinitrofluorene-2,7-disulfonamide Traditional Name: N,N,N',N'-tetrakis-decyl-9-(dicyanomethylene)-4,5-dinitro-fluorene-2,7-disulfonamide Formula: C56H88N6O8S2 MolecularWeight: 1037.46332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN(CCCCCCCCCC)S(=O)(=O)C1=CC(=C2C(=C1)C(=C(C#N)C#N)C3=CC(=CC(=C32)[N+](=O)[O-])S(=O)(=O)N(CCCCCCCCCC)CCCCCCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCN(CCCCCCCCCC)S(=O)(=O)C1=CC(=C2C(=C1)C(=C(C#N)C#N)C3=CC(=CC(=C32)[N+](=O)[O-])S(=O)(=O)N(CCCCCCCCCC)CCCCCCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C56H88N6O8S2/c1-5-9-13-17-21-25-29-33-37-59(38-34-30-26-22-18-14-10-6-2)71(67,68)48-41-50-54(47(45-57)46-58)51-42-49(44-53(62(65)66)56(51)55(50)52(43-48)61(63)64)72(69,70)60(39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h41-44H,5-40H2,1-4H3