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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C2=CC=CC=C2C)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

CC1=CC=CC=C1N(C2=CC=CC=C2C)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/c1-15-7-3-5-9-21(15)29(22-10-6-4-8-16(22)2)42(37,38)17-11-19-25(23(13-17)30(33)34)26-20(27(19)28-32)12-18(43(39,40)41)14-24(26)31(35)36/h3-14,32H,1-2H3,(H,39,40,41)/b28-27-