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Reference substances

Reference substances

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General information

Inventory

EC number:
274-419-4
EC name:
Trisodium 4-[[2,4-dihydroxy-3-[(4-methoxyphenyl)azo]-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate
CAS number:
70210-23-0

No inventory information available

Reference substance information

IUPAC name:
trisodium 4-(2-{2,4-dihydroxy-3-[2-(4-methoxyphenyl)azo]-5-(2-{4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}azo)phenyl}azo)-5-hydroxy-2,7-naphthalenedisulfonate
Synonyms
Names:
Identifier:
IUPAC name
Trisodium 4-[[2,4-dihydroxy-3-[(4-methoxyphenyl)azo]-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate
Identifier:
IUPAC name
sodium 4-((E)-(2,4-dihydroxy-3-((E)-(4-methoxyphenyl)diazenyl)-5-((E)-(4-((4-nitro-2-sulfonatophenyl)amino)phenyl)diazenyl)phenyl)diazenyl)-5-hydroxynaphthalene-2,7-disulfonate
Identifier:
other: Molecular formula
35H26N8Na3O15S3
Identifier:
other: Molecular formula
C35H23N8O15S3.3Na

CAS information

CAS number:
70210-23-0

Molecular and structural information

Molecular formula:
C35H26N8O15S3.3Na
Molecular weight:
960.77
SMILES notation:
[Na+].[Na+].[Na+].O=S([O-])(=O)c6cc(ccc6Nc5ccc(/N=N/c4cc(/N=N/c2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c(/N=N/c3ccc(OC)cc3)c4O)cc5)N(=O)=O
InChl:
1S/C35H26N8O15S3.3Na/c1-58-23-9-6-21(7-10-23)38-42-33-34(45)28(40-37-20-4-2-19(3-5-20)36-26-11-8-22(43(47)48)14-31(26)61(55,56)57)17-29(35(33)46)41-39-27-15-24(59(49,50)51)12-18-13-25(60(52,53)54)16-30(44)32(18)27;;;/h2-17,36,44-46H,1H3,(H,49,50,51)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3/b40-37+,41-39+,42-38+;;;
Structural formula:
Chemical structure