(9Z)-7-(ditert-butylsulfamoyl)-9-hydroxyimino-4,5-dinitro-fluorene-2-sulfonic acid

Systemtic Name: (9Z)-7-(ditert-butylsulfamoyl)-9-hydroxyimino-4,5-dinitro-fluorene-2-sulfonic acid Openeye Name: (9Z)-7-(ditert-butylsulfamoyl)-9-hydroxyimino-4,5-dinitro-fluorene-2-sulfonic acid CAS Name: (9Z)-7-(ditert-butylsulfamoyl)-9-hydroxyimino-4,5-dinitro-2-fluorenesulfonic acid IUPAC Name: (9Z)-7-(ditert-butylsulfamoyl)-9-hydroxyimino-4,5-dinitrofluorene-2-sulfonic acid Traditional Name: (9Z)-7-(ditert-butylsulfamoyl)-9-hydroximino-4,5-dinitro-fluorene-2-sulfonic acid Formula: C21H24N4O10S2 MolecularWeight: 556.56606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C(C)(C)C)S(=O)(=O)C1=CC(=C2C(=C1)C(=NO)C3=CC(=CC(=C32)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N(C(C)(C)C)S(=O)(=O)C1=CC(=C2C(=C1)/C(=N/O)/C3=CC(=CC(=C32)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O10S2/c1-20(2,3)25(21(4,5)6)36(31,32)11-7-13-17(15(9-11)23(27)28)18-14(19(13)22-26)8-12(37(33,34)35)10-16(18)24(29)30/h7-10,26H,1-6H3,(H,33,34,35)/b22-19-