Direct Brown 95 (Technical Grade)
Product Code
TRC-D493020
CAS Number
Product Format
Neat
Molecular Formula
C31 H18 Cu N6 O9 S . 2 Na
Molecular Weight
760.10
Product Categories
Alternate CAS Number
Documentation
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Product Information
Chemical Data
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, 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, , /h1-16,38-41H,(H,42,43)(H,44,45,46), , 2*+1/p-4/b34-32+,36-35+,37-33+
IUPAC
Direct Brown 95
Alternate CAS Number
Free base: 760132-74-9
Product Data
Storage Temperature
+20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat