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Reference substances

Reference substances

IUPAC name:
4-(benzoylamino)-6-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulpho-2-naphthyl]azo]-5-hydroxynaphthalene-1,7-disulphonic acid, lithium sodium salt

Inventory

EC number:
280-426-3
EC name:
4-(benzoylamino)-6-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulpho-2-naphthyl]azo]-5-hydroxynaphthalene-1,7-disulphonic acid, lithium sodium salt
CAS number:
83400-11-7
CAS number:
83400-11-7
Synonyms
Names:
Identifier:
other: Molecular formula
C32H21ClF2N6O11S3xNa
lithium sodium 4-benzamido-6-[2-(5-{[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl}-1-sulfonatonaphthalen-2-yl)diazen-1-yl]-5-hydroxynaphthalene-1,7-disulfonate

Molecular and structural information

Molecular formula:
C32 H21 Cl F2 N6 O11 S3 . x Li . x Na
C32H(21-x-y)ClF2Li(x)N6Na(y)O11S3
Molecular weight:
>= 832 - <= 901
SMILES notation:
[Li+].[Na+].OC1=C(N=NC2=C(C3=CC=CC(CNC4=C(Cl)C(F)=NC(F)=N4)=C3C=C2)S([O-])(=O)=O)C(=CC2=C(C=CC(NC(=O)C3=CC=CC=C3)=C12)S([O-])(=O)=O)S([O-])(=O)=O
Structural formula:
Chemical structure

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