Acid Yellow 17 (Q27272595)

2,5-Dichloro-4-{5-hydroxy-3-methyl-4-[(E)-(4-sulfophenyl)diazenyl]-1H-pyrazol-1-yl}benzenesulfonic acid (English)

14 October 2016

chemical formula

C₁₆H₁₂Cl₂N₄O₇S₂

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canonical SMILES

CC=1C(=C(N(N1)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)O)N=NC3=CC=C(C=C3)S(=O)(=O)O

1 reference

c.i. acid yellow 17 free acid (English)

14 October 2016

isomeric SMILES

CC=1C(=C(N(N1)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)O)/N=N/C3=CC=C(C=C3)S(=O)(=O)O

1 reference

c.i. acid yellow 17 free acid (English)

InChI=1S/C16H12Cl2N4O7S2/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29/h2-7,23H,1H3,(H,24,25,26)(H,27,28,29)/b20-19+

14 October 2016

Identifiers

InChI

1 reference

c.i. acid yellow 17 free acid (English)

SWTAMHBAAIVEKW-FMQUCBEESA-N

14 October 2016

InChIKey

1 reference

c.i. acid yellow 17 free acid (English)

14 October 2016

1 reference

c.i. acid yellow 17 free acid (English)

14 October 2016

1 reference

DSSTOX compound identifier

2,5-Dichloro-4-{5-hydroxy-3-methyl-4-[(E)-(4-sulfophenyl)diazenyl]-1H-pyrazol-1-yl}benzenesulfonic acid (English)

14 October 2016

0 references

1 reference

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DTXCID6027977

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Human Metabolome Database ID

HMDB0032824

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SWTAMHBAAIVEKW-FMQUCBEESA-N

2 references

c.i. acid yellow 17 free acid (English)