Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
Molecule B - constituent of Acid Brown 189:1

Molecular and structural information

Molecular formula:
C36H23N4Na3O11S3
Molecular weight:
ca. 852.752
SMILES notation:
[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cccc1c7cccc1c6cc(/N=N/c3cccc2c3cccc2S([O-])(=O)=O)c(O)c(/N=N/c5cccc4c5CC=CC4S([O-])(=O)=O)c6O
InChl:
1S/C36H26N4O11S3.3Na/c41-35-27(21-7-1-11-24-20(21)8-4-16-31(24)52(43,44)45)19-30(39-37-28-14-2-12-25-22(28)9-5-17-32(25)53(46,47)48)36(42)34(35)40-38-29-15-3-13-26-23(29)10-6-18-33(26)54(49,50)51;;;/h1-9,11-19,33,41-42H,10H2,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-37+,40-38+;;;
Structural formula:
Chemical structure