CAS Registry Number®
94612-72-3
CAS Name
Benzenesulfonic acid, 4-chloro-2-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-5-methyl-, calcium salt (1:1)
Molecular Formula
C17H13Cl3N4O7S2.Ca
Other Names and Identifiers
InChI
InChI=1S/C17H13Cl3N4O7S2.Ca/c1-7-3-15(33(29,30)31)12(4-9(7)18)21-22-16-8(2)23-24(17(16)25)13-5-11(20)14(6-10(13)19)32(26,27)28;/h3-6,16H,1-2H3,(H,26,27,28)(H,29,30,31);
InChIKey
InChIKey=DSKXESFVDYDSGW-UHFFFAOYSA-N
SMILES
O=C1N(N=C(C)C1N=NC2=C(S(=O)(=O)O)C=C(C)C(Cl)=C2)C3=C(Cl)C=C(S(=O)(=O)O)C(Cl)=C3.[Ca]
Canonical SMILES
[Ca].O=C1N(N=C(C)C1N=NC2=CC(Cl)=C(C=C2S(=O)(=O)O)C)C3=CC(Cl)=C(C=C3Cl)S(=O)(=O)O
Other Names for this Substance
- Benzenesulfonic acid, 4-chloro-2-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-5-methyl-, calcium salt (1:1)
- Benzenesulfonic acid, 4-chloro-2-[[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-methyl-, calcium salt (1:1)
Deleted or Replaced CAS Registry Numbers
691410-39-6, 148240-74-8
