N2,N2,N7,N7-tetrakis(3-methylbutyl)-4,5-dinitro-9-oxidanylidene-fluorene-2,7-disulfonamide

Systemtic Name: N2,N2,N7,N7-tetrakis(3-methylbutyl)-4,5-dinitro-9-oxidanylidene-fluorene-2,7-disulfonamide Openeye Name: N2,N2,N7,N7-tetraisopentyl-4,5-dinitro-9-oxo-fluorene-2,7-disulfonamide CAS Name: N2,N2,N7,N7-tetrakis(3-methylbutyl)-4,5-dinitro-9-oxofluorene-2,7-disulfonamide IUPAC Name: 2-N,2-N,7-N,7-N-tetrakis(3-methylbutyl)-4,5-dinitro-9-oxofluorene-2,7-disulfonamide Traditional Name: N,N,N',N'-tetraisoamyl-9-keto-4,5-dinitro-fluorene-2,7-disulfonamide Formula: C33H48N4O9S2 MolecularWeight: 708.88562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48N4O9S2/c1-21(2)9-13-34(14-10-22(3)4)47(43,44)25-17-27-31(29(19-25)36(39)40)32-28(33(27)38)18-26(20-30(32)37(41)42)48(45,46)35(15-11-23(5)6)16-12-24(7)8/h17-24H,9-16H2,1-8H3