7-(dioctadecylsulfamoyl)-4,5-dinitro-9-oxidanylidene-fluorene-2-sulfonic acid

Systemtic Name: 7-(dioctadecylsulfamoyl)-4,5-dinitro-9-oxidanylidene-fluorene-2-sulfonic acid Openeye Name: 7-(dioctadecylsulfamoyl)-4,5-dinitro-9-oxo-fluorene-2-sulfonic acid CAS Name: 7-(dioctadecylsulfamoyl)-4,5-dinitro-9-oxo-2-fluorenesulfonic acid IUPAC Name: 7-(dioctadecylsulfamoyl)-4,5-dinitro-9-oxofluorene-2-sulfonic acid Traditional Name: 7-(distearylsulfamoyl)-9-keto-4,5-dinitro-fluorene-2-sulfonic acid Formula: C49H79N3O10S2 MolecularWeight: 934.29566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H79N3O10S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-50(36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)63(58,59)41-37-43-47(45(39-41)51(54)55)48-44(49(43)53)38-42(64(60,61)62)40-46(48)52(56)57/h37-40H,3-36H2,1-2H3,(H,60,61,62)