N2,N7-bis(2-methylphenyl)-4,5-dinitro-9-oxidanylidene-fluorene-2,7-disulfonamide

Systemtic Name: N2,N7-bis(2-methylphenyl)-4,5-dinitro-9-oxidanylidene-fluorene-2,7-disulfonamide Openeye Name: 4,5-dinitro-N2,N7-bis(o-tolyl)-9-oxo-fluorene-2,7-disulfonamide CAS Name: N2,N7-bis(2-methylphenyl)-4,5-dinitro-9-oxofluorene-2,7-disulfonamide IUPAC Name: 2-N,7-N-bis(2-methylphenyl)-4,5-dinitro-9-oxofluorene-2,7-disulfonamide Traditional Name: 9-keto-4,5-dinitro-N,N'-bis(o-tolyl)fluorene-2,7-disulfonamide Formula: C27H20N4O9S2 MolecularWeight: 608.5991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)NC5=CC=CC=C5C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C3C(=C2)C(=O)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)NC5=CC=CC=C5C)[N+](=O)[O-]

InChI

InChI=1S/C27H20N4O9S2/c1-15-7-3-5-9-21(15)28-41(37,38)17-11-19-25(23(13-17)30(33)34)26-20(27(19)32)12-18(14-24(26)31(35)36)42(39,40)29-22-10-6-4-8-16(22)2/h3-14,28-29H,1-2H3