N2,N2,N7,N7-tetrahexyl-9-nitroso-10-(oxidanylamino)anthracene-2,7-disulfonamide

Systemtic Name: N2,N2,N7,N7-tetrahexyl-9-nitroso-10-(oxidanylamino)anthracene-2,7-disulfonamide Openeye Name: N2,N2,N7,N7-tetrahexyl-10-(hydroxyamino)-9-nitroso-anthracene-2,7-disulfonamide CAS Name: N2,N2,N7,N7-tetrahexyl-10-(hydroxyamino)-9-nitrosoanthracene-2,7-disulfonamide IUPAC Name: 2-N,2-N,7-N,7-N-tetrahexyl-10-(hydroxyamino)-9-nitrosoanthracene-2,7-disulfonamide Traditional Name: N,N,N',N'-tetrahexyl-10-(hydroxyamino)-9-nitroso-anthracene-2,7-disulfonamide Formula: C38H60N4O6S2 MolecularWeight: 733.0362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)S(=O)(=O)C1=CC2=C(C=C1)C(=C3C=CC(=CC3=C2N=O)S(=O)(=O)N(CCCCCC)CCCCCC)NO

Isomeric SMILES

CCCCCCN(CCCCCC)S(=O)(=O)C1=CC2=C(C=C1)C(=C3C=CC(=CC3=C2N=O)S(=O)(=O)N(CCCCCC)CCCCCC)NO

InChI

InChI=1S/C38H60N4O6S2/c1-5-9-13-17-25-41(26-18-14-10-6-2)49(45,46)31-21-23-33-35(29-31)38(40-44)36-30-32(22-24-34(36)37(33)39-43)50(47,48)42(27-19-15-11-7-3)28-20-16-12-8-4/h21-24,29-30,39,43H,5-20,25-28H2,1-4H3