Trypan Blue(72-57-1) IR1
Product NameTrypan Blue
CAS72-57-1
Molecular FormulaC34H24N6Na4O14S4
Molecular Weight960.81
InChIInChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;
InChIKey GLNADSQYFUSGOU-GPTZEZBUSA-J
SmilesC12C(N)=CC(S([O-])(=O)=O)=CC1=CC(S([O-])(=O)=O)=C(/N=N/C1C=CC(C3C=CC(/N=N/C4C(O)=C5C(C=C(S([O-])(=O)=O)C=C5N)=CC=4S([O-])(=O)=O)=C(C)C=3)=CC=1C)C=2O.[Na+].[Na+].[Na+].[Na+]
