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General information

Inventory

EC number:
235-558-6
EC name:
Calcium bis[4-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate]
CAS number:
12286-66-7

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Reference substance information

IUPAC name:
calcium bis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate]
Synonyms
Names:
Benzenesulfonic acid, 4-[[1-[[(2-methylphenyl)amino] carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium salt (2:1)
Benzenesulfonic acid, 4-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium sal
Benzenesulfonic acid, 4-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitro-, calcium salt (2:1)

CAS information

CAS number:
12286-66-7

Molecular and structural information

Molecular formula:
C17H16N4O7S.1/2Ca
Molecular weight:
878.855
SMILES notation:
[Ca+2].O=C(Nc1ccccc1C)C(N=Nc2ccc(cc2[N+]([O-])=O)S([O-])(=O)=O)C(C)=O.[O-]S(=O)(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1C)c(c2)[N+]([O-])=O
InChl:
InChI=1/2C17H16N4O7S.Ca/c2*1-10-5-3-4-6-13(10)18-17(23)16(11(2)22)20-19-14-8-7-12(29(26,27)28)9-15(14)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);/q;;+2/p-2
Structural formula:
Chemical structure