Oxamine blue B(6428-97-3) IR1
Product NameOxamine blue B
CAS6428-97-3
Molecular FormulaC34H25N5Na2O10S2
Molecular Weight773.69934
InChIInChI=1S/C34H27N5O10S2.2Na/c1-48-28-14-18(10-12-25(28)36-38-27-17-30(50(42,43)44)20-6-3-4-7-21(20)33(27)40)19-11-13-26(29(15-19)49-2)37-39-32-31(51(45,46)47)16-23-22(34(32)41)8-5-9-24(23)35;;/h3-17,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2/b38-36+,39-37+;;
InChIKey OLYMHWJEOMQVJM-PYIFGEPISA-L
SmilesS(C1=C(C(=C2C([H])=C([H])C([H])=C(C2=C1[H])N([H])[H])[O-])/N=N/C1C([H])=C([H])C(=C([H])C=1OC([H])([H])[H])C1C([H])=C([H])C(=C(C=1[H])OC([H])([H])[H])/N=N/C1=C(C2=C([H])C([H])=C([H])C([H])=C2C(=C1[H])S(=O)(=O)O[H])[O-])(=O)(=O)O[H].[Na+].[Na+]
