(9Z)-7-[bis(phenylmethyl)sulfamoyl]-9-hydroxyimino-4,5-dinitro-fluorene-2-sulfonic acid

Systemtic Name: (9Z)-7-[bis(phenylmethyl)sulfamoyl]-9-hydroxyimino-4,5-dinitro-fluorene-2-sulfonic acid Openeye Name: (9Z)-7-(dibenzylsulfamoyl)-9-hydroxyimino-4,5-dinitro-fluorene-2-sulfonic acid CAS Name: (9Z)-7-[bis(phenylmethyl)sulfamoyl]-9-hydroxyimino-4,5-dinitro-2-fluorenesulfonic acid IUPAC Name: (9Z)-7-(dibenzylsulfamoyl)-9-hydroxyimino-4,5-dinitrofluorene-2-sulfonic acid Traditional Name: (9Z)-7-(dibenzylsulfamoyl)-9-hydroximino-4,5-dinitro-fluorene-2-sulfonic acid Formula: C27H20N4O10S2 MolecularWeight: 624.5985

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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(=NO)C5=CC(=CC(=C54)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H20N4O10S2/c32-28-27-21-11-19(42(37,38)29(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18)13-23(30(33)34)25(21)26-22(27)12-20(43(39,40)41)14-24(26)31(35)36/h1-14,32H,15-16H2,(H,39,40,41)/b28-27-