Registration Dossier

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
Constituent 4 of Acid Brown 075

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C26H14N4Na4O16S4
Molecular weight:
ca. 858.626
SMILES notation:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c5c(c1)cc(cc5/N=N/c4cc(/N=N/c3cc(cc2cc(cc(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)c(O)cc4O)S([O-])(=O)=O
InChl:
1S/C26H18N4O16S4.4Na/c31-21-10-22(32)18(28-30-20-6-14(48(38,39)40)2-12-4-16(50(44,45)46)8-24(34)26(12)20)9-17(21)27-29-19-5-13(47(35,36)37)1-11-3-15(49(41,42)43)7-23(33)25(11)19;;;;/h1-10,31-34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;/q;4*+1/p-4/b29-27+,30-28+;;;;
Structural formula:
Chemical structure

Related substances