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

Systemtic Name: N2,N7-dibutyl-4,5-dinitro-9-oxidanylidene-fluorene-2,7-disulfonamide Openeye Name: N2,N7-dibutyl-4,5-dinitro-9-oxo-fluorene-2,7-disulfonamide CAS Name: N2,N7-dibutyl-4,5-dinitro-9-oxofluorene-2,7-disulfonamide IUPAC Name: 2-N,7-N-dibutyl-4,5-dinitro-9-oxofluorene-2,7-disulfonamide Traditional Name: N,N'-dibutyl-9-keto-4,5-dinitro-fluorene-2,7-disulfonamide Formula: C21H24N4O9S2 MolecularWeight: 540.56666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O9S2/c1-3-5-7-22-35(31,32)13-9-15-19(17(11-13)24(27)28)20-16(21(15)26)10-14(12-18(20)25(29)30)36(33,34)23-8-6-4-2/h9-12,22-23H,3-8H2,1-2H3