Direct Blue 218 (Technical Grade)

Analyte Name

Direct Blue 218

CAS Number

28407-37-6

Molecular Formula

C32 H18 Cu2 N6 O16 S4 . 4 Na

Molecular Weight

1087.81

Accurate Mass

1085.7688

SMILES

[Na+].[Na+].[Na+].[Na+].Nc1cc(cc2cc(c3c(c12)[O-][Cu+2]4[N]3=Nc5ccc(cc5[O-]4)c6ccc7N=[N]8[Cu+2]([O-]c7c6)[O-]c9c8c(cc%10cc(cc(N)c9%10)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,39-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;2*+2;4*+1/p-8

Alternate CAS Number

Free base: 289915-32-8

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat