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Reference substances

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General information

Inventory

EC number:
235-557-0
EC name:
Calcium bis[3-nitro-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenesulphonate]
CAS number:
12286-65-6

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Reference substance information

IUPAC name:
calcium bis(3-nitro-4-[(E)-2-[2-oxo-1-(phenylcarbamoyl)propyl]diazen-1-yl]benzene-1-sulfonate)
Synonyms
Names:
Benzenesulfonic acid, 3-nitro-4-[[2-oxo-1-[(phenylamino) carbonyl]propyl]azo]-, calcium salt (2:1)
Benzenesulfonic acid, 3-nitro-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]-, calcium salt (2:1)
Identifier:
CAS number
12286-65-6
Identifier:
IUPAC name
calcium bis[3-nitro-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenesulphonate
calcium bis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate)

CAS information

CAS number:
12286-65-6

Molecular and structural information

Molecular formula:
C16H14N4O7S.1/2Ca
Molecular weight:
850.802
SMILES notation:
[Ca+2].CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2.CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2
InChl:
InChI=1/2C16H14N4O7S.Ca/c2*1-10(21)15(16(22)17-11-5-3-2-4-6-11)19-18-13-8-7-12(28(25,26)27)9-14(13)20(23)24;/h2*2-9,15H,1H3,(H,17,22)(H,25,26,27);/q;;+2/p-2
Structural formula:
Chemical structure