4,5-dinitro-N2,N7-dioctadecyl-9-oxidanylidene-fluorene-2,7-disulfonamide

Systemtic Name: 4,5-dinitro-N2,N7-dioctadecyl-9-oxidanylidene-fluorene-2,7-disulfonamide Openeye Name: 4,5-dinitro-N2,N7-dioctadecyl-9-oxo-fluorene-2,7-disulfonamide CAS Name: 4,5-dinitro-N2,N7-dioctadecyl-9-oxofluorene-2,7-disulfonamide IUPAC Name: 4,5-dinitro-2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide Traditional Name: 9-keto-4,5-dinitro-N,N'-distearyl-fluorene-2,7-disulfonamide Formula: C49H80N4O9S2 MolecularWeight: 933.3109

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C32)[N+](=O)[O-])S(=O)(=O)NCCCCCCCCCCCCCCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C32)[N+](=O)[O-])S(=O)(=O)NCCCCCCCCCCCCCCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C49H80N4O9S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-50-63(59,60)41-37-43-47(45(39-41)52(55)56)48-44(49(43)54)38-42(40-46(48)53(57)58)64(61,62)51-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-40,50-51H,3-36H2,1-2H3