CAS Registry Number®
80997-93-9
CAS Name
Chromate(3-), bis[3-[2-[4,5-dihydro-3-methyl-5-(oxo-κO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-κN1]-4-(hydroxy-κO)benzenesulfonato(3-)]-, sodium (1:3)
Molecular Formula
C32H22CrN8O10S2.3Na
Molecular Mass
863.66
Other Names and Identifiers
InChI
InChI=1S/2C16H13N4O5S.Cr.3Na/c2*1-10-15(16(22)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(26(23,24)25)7-8-14(13)21;;;;/h2*2-9,21H,1H3,(H,23,24,25);;;;/q2*-1;+3;3*+1/p-4
InChIKey
InChIKey=SEJOABFEVHTAFV-UHFFFAOYSA-J
SMILES
S(=O)(=O)([O-])C=1C=C2[N]=3[Cr+3]45([N](C=6C([O-]4)=CC=C(S(=O)(=O)[O-])C6)=N[C-]7C(=O5)N(N=C7C)C8=CC=CC=C8)(O=C9[C-](N3)C(C)=NN9C%10=CC=CC=C%10)[O-]C2=CC1.[Na+]
Canonical SMILES
[Na+].O=S(=O)([O-])C=1C=CC=2[O-][Cr+3]345(O=C6[C-](N=[N]3C2C1)C(=NN6C=7C=CC=CC7)C)O=C8[C-](N=[N]5C=9C=C(C=CC9[O-]4)S(=O)(=O)[O-])C(=NN8C=%10C=CC=CC%10)C
Other Names for this Substance
- Chromate(3-), bis[3-[2-[4,5-dihydro-3-methyl-5-(oxo-κO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-κN1]-4-(hydroxy-κO)benzenesulfonato(3-)]-, sodium (1:3)
- Chromate(3-), bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxybenzenesulfonato(3-)]-, trisodium
- Benzenesulfonic acid, 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-, chromium complex
Deleted or Replaced CAS Registry Numbers
136826-53-4, 93783-54-1, 165192-53-0, 165192-54-1
