7-[bis(3-methylphenyl)sulfamoyl]-4,5-dinitro-9-oxidanylidene-fluorene-2-sulfonic acid

Systemtic Name: 7-[bis(3-methylphenyl)sulfamoyl]-4,5-dinitro-9-oxidanylidene-fluorene-2-sulfonic acid Openeye Name: 7-(bis-m-tolylsulfamoyl)-4,5-dinitro-9-oxo-fluorene-2-sulfonic acid CAS Name: 7-[bis(3-methylphenyl)sulfamoyl]-4,5-dinitro-9-oxo-2-fluorenesulfonic acid IUPAC Name: 7-[bis(3-methylphenyl)sulfamoyl]-4,5-dinitro-9-oxofluorene-2-sulfonic acid Traditional Name: 7-(bis-m-tolylsulfamoyl)-9-keto-4,5-dinitro-fluorene-2-sulfonic acid Formula: C27H19N3O10S2 MolecularWeight: 609.58386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=CC=CC(=C2)C)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

CC1=CC(=CC=C1)N(C2=CC=CC(=C2)C)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/c1-15-5-3-7-17(9-15)28(18-8-4-6-16(2)10-18)41(36,37)19-11-21-25(23(13-19)29(32)33)26-22(27(21)31)12-20(42(38,39)40)14-24(26)30(34)35/h3-14H,1-2H3,(H,38,39,40)