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

Systemtic Name: 4,5-dinitro-9-oxidanylidene-N2,N2,N7,N7-tetrakis(phenylmethyl)fluorene-2,7-disulfonamide Openeye Name: N2,N2,N7,N7-tetrabenzyl-4,5-dinitro-9-oxo-fluorene-2,7-disulfonamide CAS Name: 4,5-dinitro-9-oxo-N2,N2,N7,N7-tetrakis(phenylmethyl)fluorene-2,7-disulfonamide IUPAC Name: 2-N,2-N,7-N,7-N-tetrabenzyl-4,5-dinitro-9-oxofluorene-2,7-disulfonamide Traditional Name: N,N,N',N'-tetrabenzyl-9-keto-4,5-dinitro-fluorene-2,7-disulfonamide Formula: C41H32N4O9S2 MolecularWeight: 788.84418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C4C(=C3)C(=O)C5=CC(=CC(=C54)[N+](=O)[O-])S(=O)(=O)N(CC6=CC=CC=C6)CC7=CC=CC=C7)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C4C(=C3)C(=O)C5=CC(=CC(=C54)[N+](=O)[O-])S(=O)(=O)N(CC6=CC=CC=C6)CC7=CC=CC=C7)[N+](=O)[O-]

InChI

InChI=1S/C41H32N4O9S2/c46-41-35-21-33(55(51,52)42(25-29-13-5-1-6-14-29)26-30-15-7-2-8-16-30)23-37(44(47)48)39(35)40-36(41)22-34(24-38(40)45(49)50)56(53,54)43(27-31-17-9-3-10-18-31)28-32-19-11-4-12-20-32/h1-24H,25-28H2