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

Systemtic Name: N2,N7-bis(3-methylbutyl)-4,5-dinitro-9-oxidanylidene-fluorene-2,7-disulfonamide Openeye Name: N2,N7-diisopentyl-4,5-dinitro-9-oxo-fluorene-2,7-disulfonamide CAS Name: N2,N7-bis(3-methylbutyl)-4,5-dinitro-9-oxofluorene-2,7-disulfonamide IUPAC Name: 2-N,7-N-bis(3-methylbutyl)-4,5-dinitro-9-oxofluorene-2,7-disulfonamide Traditional Name: N,N'-diisoamyl-9-keto-4,5-dinitro-fluorene-2,7-disulfonamide Formula: C23H28N4O9S2 MolecularWeight: 568.61982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O9S2/c1-13(2)5-7-24-37(33,34)15-9-17-21(19(11-15)26(29)30)22-18(23(17)28)10-16(12-20(22)27(31)32)38(35,36)25-8-6-14(3)4/h9-14,24-25H,5-8H2,1-4H3