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Substance Name: 3-Ethyl 4-(3-(hexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)allylidene)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylate, compound with triethylamine (1:2)
RN: 78902-53-1
InChIKey: MYIVDXWVEREBKL-PPDUDAQVSA-N

Molecular Formula

  • C21-H20-N4-O9-S.2C6-H15-N

Molecular Weight

  • 706.857
 
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Names and Synonyms

Synonym

  • EINECS 279-004-1

Systematic Name

  • 3-Ethyl 4-(3-(hexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)allylidene)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylate, compound with triethylamine (1:2)

Registry Numbers

CAS Registry Number

  • 78902-53-1

System Generated Number

  • 0078902531

Molecular Formulas

Molecular Formula

  • C21-H20-N4-O9-S.2C6-H15-N

Molecular Formula Fragments

  • C21-H20-N4-O9-S
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C21H20N4O9S.2C6H15N/c1-4-34-20(29)16-14(6-5-7-15-17(26)23(2)21(30)24(3)18(15)27)19(28)25(22-16)12-8-10-13(11-9-12)35(31,32)33;2*1-4-7(5-2)6-3/h5-11,15H,4H2,1-3H3,(H,31,32,33);2*4-6H2,1-3H3/b7-5+,14-6-;;

InChIKey

MYIVDXWVEREBKL-PPDUDAQVSA-N

Smiles

CCN(CC)CC.CCN(CC)CC.CCOC(=O)C\1=NN(C(=O)/C1=C\C=C\C2C(=O)N(C(=O)N(C2=O)C)C)c3ccc(cc3)S(=O)(=O)O