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Substance Name: EINECS 304-419-2
RN: 94266-14-5
InChIKey: IIKXOIFBLJKRKW-UCFPASQTSA-N

Molecular Formula

  • C21-H21-N3-O4-S.H3-N

Molecular Weight

  • 428.5106
 
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Names and Synonyms

Results Name

  • EINECS 304-419-2

Synonym

  • EINECS 304-419-2

Systematic Name

  • Ammonium 4-(4-(3-(4-(dimethylamino)phenyl)-2-propenylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 94266-14-5

System Generated Number

  • 0094266145

Molecular Formulas

Molecular Formula

  • C21-H21-N3-O4-S.H3-N

Molecular Formula Fragments

  • C21-H21-N3-O4-S
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C21H21N3O4S.H3N/c1-15-20(6-4-5-16-7-9-17(10-8-16)23(2)3)21(25)24(22-15)18-11-13-19(14-12-18)29(26,27)28;/h4-14H,1-3H3,(H,26,27,28);1H3/b5-4+,20-6-;

InChIKey

IIKXOIFBLJKRKW-UCFPASQTSA-N

Smiles

CC\1=NN(C(=O)/C1=C\C=C\c2ccc(cc2)N(C)C)c3ccc(cc3)S(=O)(=O)[O-].[NH4+]