Acid Red 114 (Technical Grade)

Analyte Name

Acid Red 114

CAS Number

6459-94-5

Molecular Formula

C37 H28 N4 O10 S3 . 2 Na

Molecular Weight

830.81

Accurate Mass

830.0763

SMILES

[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3C)c4ccc(N=Nc5c(O)ccc6cc(cc(c56)S(=O)(=O)[O-])S(=O)(=O)[O-])c(C)c4

InChI

InChI=1S/C37H30N4O10S3.2Na/c1-22-4-13-30(14-5-22)54(49,50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,47)48;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2

IUPAC

disodium;7-hydroxy-8-[(E)-[2-methyl-4-[3-methyl-4-[(E)-[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate

Alternate CAS Number

Free base: 25317-45-7

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat