Registration Dossier

Reference substances

Reference substances

IUPAC name:
Pentasodium 2,2'-((2,4-diamino-5-(4-methoxy-2-sulfophenylazo)-1,3-phenylene)bis(azo))bis(5-(2-(sulfonatooxyethyl)sulfonyl)benzenesulfonate

Inventory

EC number:
475-300-1
EC name:
-
CAS number:
-
CAS number:
910030-59-0
Synonyms
Names:
Pentasodium 2,2'-((2,4-diamino-5-(4-methoxy-2-sulfophenylazo )-1,3-phenylene)bis(azo))bis(5-(2-(sulfonatooxyethyl)sulfony l)benzenesulfonate

Molecular and structural information

Molecular formula:
Hill formula: C29H25N8Na5O22S7
CAS formula: C29H30N8O22S7.5Na
Molecular weight:
1 176.926
SMILES notation:
O=S(=O)(c1c(ccc(c1)OC)N=Nc1cc(c(c(c1N)N=Nc1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-])N)N=Nc1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChl:
InChI=1S/C29H30N8O22S7.5Na/c1-57-16-2-5-19(24(12-16)62(42,43)44)32-35-22-15-23(36-33-20-6-3-17(13-25(20)63(45,46)47)60(38,39)10-8-58-65(51,52)53)28(31)29(27(22)30)37-34-21-7-4-18(14-26(21)64(48,49)50)61(40,41)11-9-59-66(54,55)56;;;;;/h2-7,12-15H,8-11,30-31H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;/q;5*+1/p-5/b35-32+,36-33+,37-34+;;;;;
Structural formula:
Chemical structure

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