IUPAC Name: Calcium 4,5-dichloro-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate
Molecular Formula: C₁₆H₁₀CaCl₂N₄O₇S₂
Molecular Weight: 545.39 g/mol
SMILES: [Ca+2].c1(c(cc(c(c1)Cl)Cl)\N=N\[C@@H]1C(=NN(C1=O)c1cc(ccc1)S(=O)(=O)[O-])C)S(=O)(=O)[O-]
InChI: 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/b20-19+
EINECS: 265-634-4
Product Categories: Organics
H bond acceptors: 11
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 182.89
MonoIsotopic Mass: 543.899387
Topological Polar Surface Area: 172
Heavy Atom Count: 32
Complexity of Pigment Yellow 183 (CAS NO.65212-77-3): 950

  Pigment Yellow 183 (CAS NO.65212-77-3), its Synonyms are 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) ; Calcium 4,5-dichloro-2-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzenesulphonate .