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

Systemtic Name: N2,N7-bis(2,5-dimethylphenyl)-4,5-dinitro-9-oxidanylidene-fluorene-2,7-disulfonamide Openeye Name: N2,N7-bis(2,5-dimethylphenyl)-4,5-dinitro-9-oxo-fluorene-2,7-disulfonamide CAS Name: N2,N7-bis(2,5-dimethylphenyl)-4,5-dinitro-9-oxofluorene-2,7-disulfonamide IUPAC Name: 2-N,7-N-bis(2,5-dimethylphenyl)-4,5-dinitro-9-oxofluorene-2,7-disulfonamide Traditional Name: N,N'-bis(2,5-dimethylphenyl)-9-keto-4,5-dinitro-fluorene-2,7-disulfonamide Formula: C29H24N4O9S2 MolecularWeight: 636.65226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)NC5=C(C=CC(=C5)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)NC5=C(C=CC(=C5)C)C)[N+](=O)[O-]

InChI

InChI=1S/C29H24N4O9S2/c1-15-5-7-17(3)23(9-15)30-43(39,40)19-11-21-27(25(13-19)32(35)36)28-22(29(21)34)12-20(14-26(28)33(37)38)44(41,42)31-24-10-16(2)6-8-18(24)4/h5-14,30-31H,1-4H3