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Substance Name: 3-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-5-nitrobenzenesulphonic acid
RN: 24041-30-3
InChIKey: QUANISJMUGIEPC-ISLYRVAYSA-N

Molecular Formula

  • C16-H13-N5-O7-S

Molecular Weight

  • 419.373
 
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Names and Synonyms

Synonym

  • EINECS 245-997-5

Systematic Name

  • 3-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-5-nitrobenzenesulphonic acid

Registry Numbers

CAS Registry Number

  • 24041-30-3

System Generated Number

  • 0024041303

Structure Descriptors

InChI

1S/C16H13N5O7S/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(29(26,27)28)8-13(15(12)22)21(24)25/h2-8,14,22H,1H3,(H,26,27,28)/b18-17+

InChIKey

QUANISJMUGIEPC-ISLYRVAYSA-N

Smiles

N1(C([C@@H](\N=N\c2c(c([N+]([O-])=O)cc(S(=O)(=O)O)c2)O)C(=N1)C)=O)c1ccccc1