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Substance Name: Benzoic acid, 2-(2-(1-(2,5-dichloro-4-sulfophenyl)-2,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-
RN: 66104-59-4
InChIKey: AVESNVDAKVOEES-QZQOTICOSA-N

Molecular Formula

  • C17-H12-Cl2-N4-O6-S

Molecular Weight

  • 471.276
 
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Names and Synonyms

  • Benzoic acid, 2-((1-(2,5-dichloro-4-sulfophenyl)-2,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-
  • Benzoic acid, 2-(2-(1-(2,5-dichloro-4-sulfophenyl)-2,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-

Registry Numbers

CAS Registry Number

  • 66104-59-4

System Generated Number

  • 0066104594

Structure Descriptors

InChI

1S/C17H12Cl2N4O6S/c1-8-15(21-20-12-5-3-2-4-9(12)17(25)26)16(24)23(22-8)13-6-11(19)14(7-10(13)18)30(27,28)29/h2-7,22H,1H3,(H,25,26)(H,27,28,29)/b21-20+

InChIKey

AVESNVDAKVOEES-QZQOTICOSA-N

Smiles

O=C(O)c1ccccc1\N=N\c1c([nH]n(c2c(cc(S(=O)(=O)O)c(Cl)c2)Cl)c1=O)C