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Reference substances

Reference substances

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General information

Inventory

EC number:
219-708-8
EC name:
Tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-1-naphthyl]azo]-6-sulphonato-1-naphthyl]azo]benzene-1,4-disulphonate
CAS number:
2503-73-3

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Reference substance information

IUPAC name:
tetrasodium 2-[(E)-2-{4-[(E)-2-{4-[(E)-2-[1-hydroxy-6-(phenylamino)-3-sulfonaphthalen-2-yl]diazen-1-yl]naphthalen-1-yl}diazen-1-yl]-6-sulfonaphthalen-1-yl}diazen-1-yl]benzene-1,4-disulfonate
Synonyms
Names:
1,4-Benzenedisulfonic acid, 2-[[4-[[4-[[1-hydroxy-6-( phenylamino)-3-sulfo-2-naphthalenyl]azo]-1-naphthalenyl ]azo]-6-sulfo-1-naphthalenyl]azo]-, tetrasodium salt
1,4-Benzenedisulfonic acid, 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-1-naphthalenyl]azo]-6-sulfo-1-naphthalenyl]azo]-, tetrasodium salt
tetrasodium 2-{[4-({4-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-1-naphthyl}diazenyl)-6-sulfonato-1-naphthyl]diazenyl}benzene-1,4-disulfonate

CAS information

CAS number:
2503-73-3

Molecular and structural information

Molecular formula:
C42H29N7O13S4.4Na
Molecular weight:
1 055.906
SMILES notation:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc(N=Nc7ccc(N=Nc5ccc(N=Nc2c(cc1cc(ccc1c2O)Nc3ccccc3)S([O-])(=O)=O)c4ccccc45)c6cc(ccc67)S([O-])(=O)=O)c(cc8)S([O-])(=O)=O
InChl:
InChI=1/C42H29N7O13S4.4Na/c50-42-29-13-10-26(43-25-6-2-1-3-7-25)20-24(29)21-40(66(60,61)62)41(42)49-47-35-16-15-34(30-8-4-5-9-31(30)35)44-46-37-18-17-36(32-14-11-27(22-33(32)37)63(51,52)53)45-48-38-23-28(64(54,55)56)12-19-39(38)65(57,58)59;;;;/h1-23,43,50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4
Structural formula:
Chemical structure