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

Systemtic Name: 7-[bis(phenylmethyl)sulfamoyl]-4,5-dinitro-9-oxidanylidene-fluorene-2-sulfonic acid Openeye Name: 7-(dibenzylsulfamoyl)-4,5-dinitro-9-oxo-fluorene-2-sulfonic acid CAS Name: 7-[bis(phenylmethyl)sulfamoyl]-4,5-dinitro-9-oxo-2-fluorenesulfonic acid IUPAC Name: 7-(dibenzylsulfamoyl)-4,5-dinitro-9-oxofluorene-2-sulfonic acid Traditional Name: 7-(dibenzylsulfamoyl)-9-keto-4,5-dinitro-fluorene-2-sulfonic acid Formula: C27H19N3O10S2 MolecularWeight: 609.58386

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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(=O)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(=O)C5=CC(=CC(=C54)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C27H19N3O10S2/c31-27-21-11-19(41(36,37)28(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18)13-23(29(32)33)25(21)26-22(27)12-20(42(38,39)40)14-24(26)30(34)35/h1-14H,15-16H2,(H,38,39,40)