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

Systemtic Name: bis(2-methylphenyl) 4,5-dinitro-9-oxidanylidene-fluorene-2,7-disulfonate Openeye Name: bis-o-tolyl 4,5-dinitro-9-oxo-fluorene-2,7-disulfonate CAS Name: 4,5-dinitro-9-oxofluorene-2,7-disulfonic acid bis(2-methylphenyl) ester IUPAC Name: bis(2-methylphenyl) 4,5-dinitro-9-oxofluorene-2,7-disulfonate Traditional Name: 9-keto-4,5-dinitro-fluorene-2,7-disulfonic acid bis-o-tolyl ester Formula: C27H18N2O11S2 MolecularWeight: 610.56862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OS(=O)(=O)C2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)OC5=CC=CC=C5C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OS(=O)(=O)C2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)OC5=CC=CC=C5C)[N+](=O)[O-]

InChI

InChI=1S/C27H18N2O11S2/c1-15-7-3-5-9-23(15)39-41(35,36)17-11-19-25(21(13-17)28(31)32)26-20(27(19)30)12-18(14-22(26)29(33)34)42(37,38)40-24-10-6-4-8-16(24)2/h3-14H,1-2H3