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Reference substances

Reference substances

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General information

Inventory

EC number:
274-482-8
EC name:
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt
CAS number:
70236-51-0

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Reference substance information

IUPAC name:
sodium 4-hydroxy-5-((4-((4-((5-hydroxy-6-((2-methoxy-5-sulfonatophenyl)diazenyl)-7-sulfonatonaphthalen-2-yl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)diazenyl)naphtalene-2,7-disulfonate
Synonyms
Names:
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy- 6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2 -naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazi n-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt
Identifier:
IUPAC name
2,7-naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt
Identifier:
IUPAC name
tetrasodium 4-[(4-{[4-anilino-6-({5-hydroxy-6-[(2-methoxy-5-sulfonatophenyl)diazenyl]-7-sulfonato-2-naphthyl}amino)-1,3,5-triazin-2-yl]amino}-5-methoxy-2-methylphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate
Identifier:
other: Molecular formula
C44H32N10O16S4Na4
Identifier:
other: Molecular formula
C44H36N10O16S4.4Na
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc(N=Nc2c(cc1cc(ccc1c2O)Nc7nc(Nc3ccccc3)nc(Nc6cc(C)c(N=Nc5cc(cc4cc(cc(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)cc6OC)n7)S([O-])(=O)=O)c(OC)cc8

CAS information

CAS number:
70236-51-0

Molecular and structural information

Molecular formula:
C44H32N10Na4O16S4
Molecular weight:
1 177
SMILES notation:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc(/N=N/c2c(cc1cc(ccc1c2O)Nc7nc(Nc3ccccc3)nc(Nc6cc(C)c(/N=N/c5cc(cc4cc(cc(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)cc6OC)n7)S([O-])(=O)=O)c(OC)cc8
InChl:
InChI=1/C44H36N10O16S4.4Na/c1-22-13-32(37(70-3)21-31(22)51-53-34-19-28(72(60,61)62)15-24-16-29(73(63,64)65)20-35(55)39(24)34)47-44-49-42(45-25-7-5-4-6-8-25)48-43(50-44)46-26-9-11-30-23(14-26)17-38(74(66,67)68)40(41(30)56)54-52-33-18-27(71(57,58)59)10-12-36(33)69-2;;;;/h4-21,55-56H,1-3H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H3,45,46,47,48,49,50);;;;/q;4*+1/p-4
Structural formula:
Chemical structure