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Substance Name: 4-(4,5-Dihydro-4-(3-(5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl)allylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, compound with triethylamine (1:3)
RN: 84100-38-9
InChIKey: OIHDCZFHUMAWOP-NKDDPAPKSA-N

Molecular Formula

  • C23-H20-N4-O8-S2.3C6-H15-N

Molecular Weight

  • 848.1375
 
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Names and Synonyms

Synonym

  • EINECS 282-118-4

Systematic Name

  • 4-(4,5-Dihydro-4-(3-(5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl)allylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, compound with triethylamine (1:3)

Registry Numbers

CAS Registry Number

  • 84100-38-9

System Generated Number

  • 0084100389

Molecular Formulas

Molecular Formula

  • C23-H20-N4-O8-S2.3C6-H15-N

Molecular Formula Fragments

  • C23-H20-N4-O8-S2
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C23H20N4O8S2.3C6H15N/c1-14-20(22(28)26(24-14)16-6-10-18(11-7-16)36(30,31)32)4-3-5-21-15(2)25-27(23(21)29)17-8-12-19(13-9-17)37(33,34)35;3*1-4-7(5-2)6-3/h3-13,28H,1-2H3,(H,30,31,32)(H,33,34,35);3*4-6H2,1-3H3/b4-3+,21-5-;;;

InChIKey

OIHDCZFHUMAWOP-NKDDPAPKSA-N

Smiles

CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.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