Registration Dossier

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
tetrasodium 4-amino-5-hydroxy-3,6-bis[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate

Inventory

EC number:
241-164-5
EC name:
Tetrasodium 4-amino-5-hydroxy-3,6-bis[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate
CAS number:
17095-24-8
CAS number:
17095-24-8
Synonyms
Names:
2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt
Identifier:
IUPAC name
tetrasodium 4-amino-5-hydroxy-3,6-bis[(4-{[2-(sulfonatooxy) ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate
Identifier:
other: Molecular formula
C26H25N5O19S6.4Na
Identifier:
other: SMILES notation
[Na]OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c(S(=O)(=O)O[Na])cc3cc(S(=O)(=O)O[Na])c(c(N)c3c2O)N=Nc4ccc(cc4)S(=O)(=O)CCOS(=O)(=O)O[Na]

Molecular and structural information

Molecular formula:
C26H25N5O19S6.4Na
C26H21N5Na4O19S6
Molecular weight:
ca. 991.816
SMILES notation:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(cc3)S(=O)(=O)CCOS([O-])(=O)=O)c4O)S([O-])(=O)=O
InChl:
InChI=1S/C26H25N5O19S6.4Na/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48;;;;/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4/b30-28+,31-29+;;;;
Structural formula:
Chemical structure

Related substances