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

Systemtic Name: N2,N7-bis(4-methoxyphenyl)-4,5-dinitro-9-oxidanylidene-fluorene-2,7-disulfonamide Openeye Name: N2,N7-bis(4-methoxyphenyl)-4,5-dinitro-9-oxo-fluorene-2,7-disulfonamide CAS Name: N2,N7-bis(4-methoxyphenyl)-4,5-dinitro-9-oxofluorene-2,7-disulfonamide IUPAC Name: 2-N,7-N-bis(4-methoxyphenyl)-4,5-dinitro-9-oxofluorene-2,7-disulfonamide Traditional Name: 9-keto-N,N'-bis(4-methoxyphenyl)-4,5-dinitro-fluorene-2,7-disulfonamide Formula: C27H20N4O11S2 MolecularWeight: 640.5979

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)NC5=CC=C(C=C5)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)NC5=CC=C(C=C5)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H20N4O11S2/c1-41-17-7-3-15(4-8-17)28-43(37,38)19-11-21-25(23(13-19)30(33)34)26-22(27(21)32)12-20(14-24(26)31(35)36)44(39,40)29-16-5-9-18(42-2)10-6-16/h3-14,28-29H,1-2H3