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Reference substances

Currently viewing:
IUPAC name:
sodium 5-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-(2-{4-[2-(sulfonatooxy)ethanesulfonyl]phenyl}diazen-1-yl)naphthalene-2,7-disulfonate

Inventory

EC number:
279-015-1
EC name:
5-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid, sodium salt
CAS number:
78952-61-1
CAS number:
78952-61-1
Synonyms
Names:
Tetrasodium 5-[[4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-[[2-(sulfonatooxy)ethyl]sulfonyl]phenyl]azo]-naphthalene-2,7-disulfonate
Identifier:
IUPAC name
5-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid, sodium salt
Identifier:
IUPAC name
sodium (E)-2-(4-((8-(4-chloro-6-(3-sulfonatophenylamino)-1,3,5-triazin-2-ylamino)-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl)phenylsulfonyl)ethyl sulfate
Identifier:
other: SMILES notation
C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=NNC5=CC=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])C4=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Identifier:
other: Molecular formula
C27H22ClN7O16S5.xNa, x=1~4, typical x=4
Identifier:
other: SMILES notation
OC1=C(/N=N/C2=CC=C(S(CCOS(=O)(O[Na])=O)(=O)=O)C=C2)C(S(=O)(O[Na])=O)=CC3=C1C(NC4=NC(NC5=CC(S(=O)(O[Na])=O)=CC=C5)=NC(Cl)=N4)=CC(S(=O)(O[Na])=O)=C3
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)C1C=C(C=CC=1)NC1=NC(Cl)=NC(NC2C=C(C=C3C=C(C(N=NC4C=CC(= CC=4)S(=O)(=O)CCOS([O-])(=O)=O)=C(O)C3=2)S([O-])(=O)=O)S([O- ])(=O)=O)=N1

Molecular and structural information

Molecular formula:
C27H22ClN7O16S5.xNa
Molecular weight:
>= 895 - <= 985
SMILES notation:
[Na+].c1c(c(c(c2c(cc(cc12)S(=O)(=O)[O-])Nc1nc(nc(n1)Cl)Nc1cc(ccc1)S(=O)(=O)[O-])O)N=Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-]
Structural formula:
Chemical structure

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