1-[[2,7-bis(dibutylsulfamoyl)-4,5-dinitro-fluoren-9-ylidene]amino]urea

Systemtic Name: 1-[[2,7-bis(dibutylsulfamoyl)-4,5-dinitro-fluoren-9-ylidene]amino]urea Openeye Name: [[2,7-bis(dibutylsulfamoyl)-4,5-dinitro-fluoren-9-ylidene]amino]urea CAS Name: [[2,7-bis(dibutylsulfamoyl)-4,5-dinitro-9-fluorenylidene]amino]urea IUPAC Name: [[2,7-bis(dibutylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea Traditional Name: [[2,7-bis(dibutylsulfamoyl)-4,5-dinitro-fluoren-9-ylidene]amino]urea Formula: C30H43N7O9S2 MolecularWeight: 709.83392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC(=C2C(=C1)C(=NNC(=O)N)C3=CC(=CC(=C32)[N+](=O)[O-])S(=O)(=O)N(CCCC)CCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC(=C2C(=C1)C(=NNC(=O)N)C3=CC(=CC(=C32)[N+](=O)[O-])S(=O)(=O)N(CCCC)CCCC)[N+](=O)[O-]

InChI

InChI=1S/C30H43N7O9S2/c1-5-9-13-34(14-10-6-2)47(43,44)21-17-23-27(25(19-21)36(39)40)28-24(29(23)32-33-30(31)38)18-22(20-26(28)37(41)42)48(45,46)35(15-11-7-3)16-12-8-4/h17-20H,5-16H2,1-4H3,(H3,31,33,38)