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

Systemtic Name: N2,N2,N7,N7-tetrakis-decyl-4,5-dinitro-9-oxidanylidene-fluorene-2,7-disulfonamide Openeye Name: N2,N2,N7,N7-tetrakis-decyl-4,5-dinitro-9-oxo-fluorene-2,7-disulfonamide CAS Name: N2,N2,N7,N7-tetrakis-decyl-4,5-dinitro-9-oxofluorene-2,7-disulfonamide IUPAC Name: 2-N,2-N,7-N,7-N-tetrakis-decyl-4,5-dinitro-9-oxofluorene-2,7-disulfonamide Traditional Name: N,N,N',N'-tetrakis-decyl-9-keto-4,5-dinitro-fluorene-2,7-disulfonamide Formula: C53H88N4O9S2 MolecularWeight: 989.41722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C53H88N4O9S2/c1-5-9-13-17-21-25-29-33-37-54(38-34-30-26-22-18-14-10-6-2)67(63,64)45-41-47-51(49(43-45)56(59)60)52-48(53(47)58)42-46(44-50(52)57(61)62)68(65,66)55(39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h41-44H,5-40H2,1-4H3