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Reference substances

Reference substances

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General information

Inventory

EC number:
265-634-4
EC name:
Calcium 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate
CAS number:
65212-77-3

No inventory information available

Reference substance information

IUPAC name:
calcium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate
Synonyms
Names:
Benzenesulfonic acid, 4,5-dichloro-2-[[4,5-dihydro- 3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4 -yl]azo]-, calcium salt (1:1)

CAS information

CAS number:
65212-77-3

Molecular and structural information

Molecular formula:
C16H12Cl2N4O7S2.Ca
Molecular weight:
545.387
SMILES notation:
[Ca+2].[O-]S(=O)(=O)c3cc(Cl)c(Cl)cc3N=NC2C(\C)=N/N(c1cc(ccc1)S([O-])(=O)=O)C2=O
InChl:
InChI=1/C16H12Cl2N4O7S2.Ca/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2
Structural formula:
Chemical structure