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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)OC5=CC=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)OC5=CC=C(C=C5)C)[N+](=O)[O-]

InChI

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