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Reference substances

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IUPAC name:
Reaction mass of Tetrasodium 2-[{4-[{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl}diazenyl]-7-sulfonatonaphthalen-1-yl}diazenyl]benzene-1,4-disulfonate and Tetrasodium 2-[{4-[{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl}diazenyl]-6-sulfonatonaphthalen-1-yl}diazenyl]benzene-1,4-disulfonate

Inventory

Synonyms
Names:
Identifier:
EC number
916-837-8
Identifier:
IUPAC name
4-amino-6-[(E)-2-{5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfophenyl}diazen-1-yl]-3-[(E)-2-[4-(ethenesulfonyl)phenyl]diazen-1-yl]-5-hydroxynaphthalene-2,7-disulfonic acid
Identifier:
other: Molecular formula
C29H20ClN9O12S4.4Na
Identifier:
other: Molecular formula
C58H32Cl2N18Na8O24S8
Identifier:
other: SMILES notation
NC1=C(\N=N\C2=CC=C(C=C2)S(=O)(=O)C=C)C(=CC2=CC(=C(\N=N\C3=CC(NC4=NC(F)=NC(F)=C4Cl)=CC=C3S(O)(=O)=O)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O
Reaction mass of Tetrasodium 2-[{4-[{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl}diazenyl]-7-sulfonatonaphthalen-1-yl}diazenyl]benzene-1,4-disulfonate and Tetrasodium 2-[{4-[{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl}diazenyl]-6-sulfonatonaphthalen-1-yl}diazenyl]benzene-1,4-disulfonate

Molecular and structural information

Molecular formula:
C29H16Na4ClN9O12S4
Molecular weight:
938.16
SMILES notation:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].NC1=NC(NC2=CC=C(\N=N\C3=CC=C(\N=N\C4=CC(=CC=C4S([O-])(=O)=O)S([O-])(=O)=O)C4=C3C=CC(=C4)S([O-])(=O)=O)C3=C2C(=CC=C3)S([O-])(=O)=O)=NC(Cl)=N1.NC1=NC(NC2=CC=C(\N=N\C3=CC=C(\N=N\C4=CC(=CC=C4S([O-])(=O)=O)S([O-])(=O)=O)C4=C3C=C(C=C4)S([O-])(=O)=O)C3=C2C(=CC=C3)S([O-])(=O)=O)=NC(Cl)=N1
Structural formula:
Chemical structure

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