bis(3-methylphenyl) 9-hydroxyimino-4,5-dinitro-fluorene-2,7-disulfonate

Systemtic Name: bis(3-methylphenyl) 9-hydroxyimino-4,5-dinitro-fluorene-2,7-disulfonate Openeye Name: bis-m-tolyl 9-hydroxyimino-4,5-dinitro-fluorene-2,7-disulfonate CAS Name: 9-hydroxyimino-4,5-dinitrofluorene-2,7-disulfonic acid bis(3-methylphenyl) ester IUPAC Name: bis(3-methylphenyl) 9-hydroxyimino-4,5-dinitrofluorene-2,7-disulfonate Traditional Name: 9-hydroximino-4,5-dinitro-fluorene-2,7-disulfonic acid bis-m-tolyl ester Formula: C27H19N3O11S2 MolecularWeight: 625.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OS(=O)(=O)C2=CC(=C3C(=C2)C(=NO)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)OC5=CC=CC(=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OS(=O)(=O)C2=CC(=C3C(=C2)C(=NO)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)OC5=CC=CC(=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C27H19N3O11S2/c1-15-5-3-7-17(9-15)40-42(36,37)19-11-21-25(23(13-19)29(32)33)26-22(27(21)28-31)12-20(14-24(26)30(34)35)43(38,39)41-18-8-4-6-16(2)10-18/h3-14,31H,1-2H3