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

Systemtic Name: 9-(dicyanomethylidene)-N2,N7-bis(4-methoxyphenyl)-4,5-dinitro-fluorene-2,7-disulfonamide Openeye Name: 9-(dicyanomethylene)-N2,N7-bis(4-methoxyphenyl)-4,5-dinitro-fluorene-2,7-disulfonamide CAS Name: 9-(dicyanomethylidene)-N2,N7-bis(4-methoxyphenyl)-4,5-dinitrofluorene-2,7-disulfonamide IUPAC Name: 9-(dicyanomethylidene)-2-N,7-N-bis(4-methoxyphenyl)-4,5-dinitrofluorene-2,7-disulfonamide Traditional Name: 9-(dicyanomethylene)-N,N'-bis(4-methoxyphenyl)-4,5-dinitro-fluorene-2,7-disulfonamide Formula: C30H20N6O10S2 MolecularWeight: 688.644

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H20N6O10S2/c1-45-20-7-3-18(4-8-20)33-47(41,42)22-11-24-28(17(15-31)16-32)25-12-23(48(43,44)34-19-5-9-21(46-2)10-6-19)14-27(36(39)40)30(25)29(24)26(13-22)35(37)38/h3-14,33-34H,1-2H3