Direct Brown 95 (Technical Grade)

Analyte Name

Direct Brown 95

CAS Number

16071-86-6

Molecular Formula

C31 H18 Cu N6 O9 S . 2 Na

Molecular Weight

760.10

Accurate Mass

758.9947

SMILES

[Na+].[Na+].Oc1ccc(cc1C(=O)[O-])N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4c(O)ccc5c4[O-][Cu+2]6N5=Nc7cc(ccc7[O-]6)S(=O)(=O)[O-]

InChI

/q, 2*+1/p-4/b34-32+,36-35+,37-33+, +2, , , /h1-16,38-41H,(H,42,43)(H,44,45,46), , InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39,

IUPAC

Direct Brown 95

Alternate CAS Number

Free base: 760132-74-9

Storage Temperature

+20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat