N2,N2-dibutyl-4,5-dinitro-9-oxidanylidene-N7,N7-dipropyl-fluorene-2,7-disulfonamide

Systemtic Name: N2,N2-dibutyl-4,5-dinitro-9-oxidanylidene-N7,N7-dipropyl-fluorene-2,7-disulfonamide Openeye Name: N2,N2-dibutyl-4,5-dinitro-9-oxo-N7,N7-dipropyl-fluorene-2,7-disulfonamide CAS Name: N2,N2-dibutyl-4,5-dinitro-9-oxo-N7,N7-dipropylfluorene-2,7-disulfonamide IUPAC Name: 2-N,2-N-dibutyl-4,5-dinitro-9-oxo-7-N,7-N-dipropylfluorene-2,7-disulfonamide Traditional Name: N,N-dibutyl-9-keto-4,5-dinitro-N',N'-dipropyl-fluorene-2,7-disulfonamide Formula: C27H36N4O9S2 MolecularWeight: 624.72614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C32)[N+](=O)[O-])S(=O)(=O)N(CCC)CCC)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C32)[N+](=O)[O-])S(=O)(=O)N(CCC)CCC)[N+](=O)[O-]

InChI

InChI=1S/C27H36N4O9S2/c1-5-9-13-29(14-10-6-2)42(39,40)20-16-22-26(24(18-20)31(35)36)25-21(27(22)32)15-19(17-23(25)30(33)34)41(37,38)28(11-7-3)12-8-4/h15-18H,5-14H2,1-4H3