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Substance Name: EINECS 258-294-3
RN: 53014-12-3
InChIKey: KBFBVKYHSOLVFL-XENDVBMFSA-K

Molecular Formula

  • C24-H22-N4-O8-S2.3Na

Molecular Weight

  • 624.5361
 
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Names and Synonyms

Results Name

  • EINECS 258-294-3

Synonym

  • EINECS 258-294-3

Systematic Name

  • Trisodium p-(4,5-dihydro-3-methyl-4-(1-methyl-3-(3-methyl-5-oxido-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)allylidene)-5-oxo-1H-pyrazol-1-yl)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 53014-12-3

System Generated Number

  • 0053014123

Molecular Formulas

Molecular Formula

  • C24-H22-N4-O8-S2.3Na

Molecular Formula Fragments

  • C24-H22-N4-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H22N4O8S2.3Na/c1-14(22-16(3)26-28(24(22)30)18-7-11-20(12-8-18)38(34,35)36)4-13-21-15(2)25-27(23(21)29)17-5-9-19(10-6-17)37(31,32)33;;;/h4-13,29H,1-3H3,(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3/b13-4+,22-14-;;;

InChIKey

KBFBVKYHSOLVFL-XENDVBMFSA-K

Smiles

Cc1c(c(n(n1)c2ccc(cc2)S(=O)(=O)[O-])[O-])/C=C/C(=C\3/C(=NN(C3=O)c4ccc(cc4)S(=O)(=O)[O-])C)/C.[Na+].[Na+].[Na+]