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Reference substances

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IUPAC name:
tetrasodium 3-[[4-[[4-[(6-amino-1-hydroxy-3-sulpho-2-naphthyl)azo]-6-sulpho-1-naphthyl]azo]-1-naphthyl]azo]naphthalene-1,5-disulphonate

Inventory

EC number:
224-531-4
EC name:
Tetrasodium 3-[[4-[[4-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-6-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]naphthalene-1,5-disulphonate
CAS number:
4399-55-7
CAS number:
4399-55-7
Synonyms
Names:
1,5-Naphthalenedisulfonic acid, 3-[[4-[[4-[(6-amino-1-hydroxy- 3-sulfo-2-naphthalenyl)azo]-6-sulfo-1-naphthalenyl ]azo]-1-naphthalenyl]azo]-, tetrasodium salt
1,5-Naphthalenedisulfonic acid, 3-[[4-[[4-[(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-6-sulfo-1-naphthalenyl]azo]-1-naphthalenyl]azo]-, tetrasodium salt
Identifier:
IUPAC name
tetrasodium 3-{[4-({4-[(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-6-sulfonato-1-naphthyl}diazenyl)-1-naphthyl]diazenyl}naphthalene-1,5-disulfonate

Molecular and structural information

Molecular formula:
C40H27N7O13S4.4Na
Molecular weight:
ca. 1 029.9
SMILES notation:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cccc1c8cc(cc1S([O-])(=O)=O)N=Nc7ccc(N=Nc5ccc(N=Nc3c(cc2cc(N)ccc2c3O)S([O-])(=O)=O)c4cc(ccc45)S([O-])(=O)=O)c6ccccc67
InChl:
InChI=1/C40H27N7O13S4.4Na/c41-22-8-10-25-21(16-22)17-38(64(58,59)60)39(40(25)48)47-46-35-15-14-34(28-11-9-24(20-30(28)35)61(49,50)51)45-44-33-13-12-32(26-4-1-2-5-27(26)33)43-42-23-18-31-29(37(19-23)63(55,56)57)6-3-7-36(31)62(52,53)54;;;;/h1-20,48H,41H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4
Structural formula:
Chemical structure

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