Acid Yellow 54

CAS Registry Number®

10127-05-6
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CAS Name

Acid Yellow 54

Molecular Formula

C18H13CrN4O10S2.2Na

Cite this Page

Acid Yellow 54.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=10127-05-6 (retrieved 2024-05-05) (CAS RN: 10127-05-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H15N4O9S2.Cr.2Na.H2O/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25;;;;/h3-8H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31);;;;1H2/q-1;+3;2*+1;/p-4

InChIKey

InChIKey=RJSYHWYIPPUATO-UHFFFAOYSA-J

SMILES

CC=1[C-]2C(N(N1)C3=C(C)C=C(S(=O)(=O)[O-])C=C3)=O[Cr+3]4([OH-])[N](=N2)C=5C(C(=O)[O-]4)=CC=C(S(=O)(=O)[O-])C5.[Na+]

Canonical SMILES

[Na+].O=C1[O-][Cr+3]2([OH-])O=C3[C-](N=[N]2C=4C=C(C=CC14)S(=O)(=O)[O-])C(=NN3C5=CC=C(C=C5C)S(=O)(=O)[O-])C

Other Names for this Substance

  • Chromate(2-), [2-[2-[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-(oxo-κO)-1H-pyrazol-4-yl]diazenyl-κN1]-4-sulfobenzoato(4-)-κO]hydroxy-, sodium (1:2), (T-4)-
  • C.I. Acid Yellow 54
  • Chromate(2-), [2-[[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]azo]-4-sulfobenzoato(4-)]hydroxy-, disodium
  • Chromate(2-), [2-[[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-(oxo-κO)-1H-pyrazol-4-yl]azo-κN1]-4-sulfobenzoato(4-)-κO]hydroxy-, disodium, (T-4)-
  • Benzoic acid, 2-[[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]azo]-4-sulfo-, chromium complex

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Deleted or Replaced CAS Registry Numbers

13195-19-2, 16544-03-9

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