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

Systemtic Name: 9-(dicyanomethylidene)-N2,N7-dihexadecyl-4,5-dinitro-fluorene-2,7-disulfonamide Openeye Name: 9-(dicyanomethylene)-N2,N7-dihexadecyl-4,5-dinitro-fluorene-2,7-disulfonamide CAS Name: 9-(dicyanomethylidene)-N2,N7-dihexadecyl-4,5-dinitrofluorene-2,7-disulfonamide IUPAC Name: 9-(dicyanomethylidene)-2-N,7-N-dihexadecyl-4,5-dinitrofluorene-2,7-disulfonamide Traditional Name: N,N'-dicetyl-9-(dicyanomethylene)-4,5-dinitro-fluorene-2,7-disulfonamide Formula: C48H72N6O8S2 MolecularWeight: 925.25068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H72N6O8S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-51-63(59,60)40-33-42-46(39(37-49)38-50)43-34-41(36-45(54(57)58)48(43)47(42)44(35-40)53(55)56)64(61,62)52-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36,51-52H,3-32H2,1-2H3