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Reference substances

Reference substances

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General information

Inventory

EC number:
282-438-4
EC name:
Trisodium bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)]cobaltate(3-)
CAS number:
84204-70-6

No inventory information available

Reference substance information

IUPAC name:
trisodium bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)]cobaltate(3-)
Synonyms
Names:
Identifier:
CAS number
84204-70-6
Identifier:
IUPAC name
Acid Brown 451
Identifier:
common name
Acid Brown 451

CAS information

CAS number:
84204-70-6

Molecular and structural information

Molecular formula:
C32H20CoN10Na3O14S2
Molecular weight:
960.592
SMILES notation:
[Na+].[Na+].[Na+].CC1=NN(C2=C1\N=N\C1=C(O[Co-]3(O2)OC2=C(\N=N\C4=C(O3)C(=CC(=C4)[N+]([O-])=O)S([O-])(=O)=O)C(C)=NN2C2=CC=CC=C2)C(=CC(=C1)[N+]([O-])=O)S([O-])(=O)=O)C1=CC=CC=C1
InChl:
1S/2C16H13N5O7S.Co.3Na/c2*1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;;;;/h2*2-8,22-23H,1H3,(H,26,27,28);;;;/q;;+3;3*+1/p-6/b2*18-17-;;;;
Structural formula:
Chemical structure