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

Systemtic Name: 4,5-dinitro-9-oxidanylidene-N2,N7-bis(phenylmethyl)fluorene-2,7-disulfonamide Openeye Name: N2,N7-dibenzyl-4,5-dinitro-9-oxo-fluorene-2,7-disulfonamide CAS Name: 4,5-dinitro-9-oxo-N2,N7-bis(phenylmethyl)fluorene-2,7-disulfonamide IUPAC Name: 2-N,7-N-dibenzyl-4,5-dinitro-9-oxofluorene-2,7-disulfonamide Traditional Name: N,N'-dibenzyl-9-keto-4,5-dinitro-fluorene-2,7-disulfonamide Formula: C27H20N4O9S2 MolecularWeight: 608.5991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)NCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)NCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H20N4O9S2/c32-27-21-11-19(41(37,38)28-15-17-7-3-1-4-8-17)13-23(30(33)34)25(21)26-22(27)12-20(14-24(26)31(35)36)42(39,40)29-16-18-9-5-2-6-10-18/h1-14,28-29H,15-16H2