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Substance Name: EINECS 304-417-1
RN: 94266-11-2
InChIKey: XYDHMXMCRGEIPH-PQXOWKIQSA-N

Molecular Formula

  • C21-H19-N3-O6-S.H3-N

Molecular Weight

  • 458.4928
 
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Names and Synonyms

Results Name

  • EINECS 304-417-1

Synonym

  • EINECS 304-417-1

Systematic Name

  • Ammonium hydrogen 4-(3-(4-(dimethylamino)phenyl)allylidene)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 94266-11-2

System Generated Number

  • 0094266112

Molecular Formulas

Molecular Formula

  • C21-H19-N3-O6-S.H3-N

Molecular Formula Fragments

  • C21-H19-N3-O6-S
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C21H19N3O6S.H3N/c1-23(2)15-8-6-14(7-9-15)4-3-5-18-19(21(26)27)22-24(20(18)25)16-10-12-17(13-11-16)31(28,29)30;/h3-13H,1-2H3,(H,26,27)(H,28,29,30);1H3/b4-3+,18-5-;

InChIKey

XYDHMXMCRGEIPH-PQXOWKIQSA-N

Smiles

CN(C)c1ccc(cc1)/C=C/C=C\2/C(=NN(C2=O)c3ccc(cc3)S(=O)(=O)[O-])C(=O)O.[NH4+]