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Substance Name: 4-((5-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
RN: 85946-19-6
InChIKey: MMAQGROUBPXPLL-CYYJNZCTSA-N

Molecular Formula

  • C19-H12-Cl2-N8-O9-S2

Molecular Weight

  • 631.3888
 
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Names and Synonyms

Synonym

  • EINECS 288-958-8

Systematic Name

  • 4-((5-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

Registry Numbers

CAS Registry Number

  • 85946-19-6

System Generated Number

  • 0085946196

Structure Descriptors

InChI

1S/C19H12Cl2N8O9S2/c20-17-23-18(21)25-19(24-17)22-8-1-6-12(40(36,37)38)11(7-8)26-27-13-14(16(31)32)28-29(15(13)30)9-2-4-10(5-3-9)39(33,34)35/h1-7,13H,(H,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25)/b27-26+

InChIKey

MMAQGROUBPXPLL-CYYJNZCTSA-N

Smiles

c1cc(ccc1N2C(=O)C(C(=N2)C(=O)O)/N=N/c3cc(ccc3S(=O)(=O)O)Nc4nc(nc(n4)Cl)Cl)S(=O)(=O)O