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Substance Name: 2-(Lactoyloxy)propionic acid, compound with 2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)-1,N,N-trimethylethylamine (1:1)
RN: 85154-09-2
InChIKey: BHQIKNHQBWVNFD-UHFFFAOYSA-N

Molecular Formula

  • C20-H24-Cl-N3-O2-S.C6-H10-O5

Molecular Weight

  • 568.0876
 
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Names and Synonyms

Synonym

  • EINECS 285-891-6

Systematic Name

  • 2-(Lactoyloxy)propionic acid, compound with 2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)-1,N,N-trimethylethylamine (1:1)

Registry Numbers

CAS Registry Number

  • 85154-09-2

System Generated Number

  • 0085154092

Molecular Formulas

Molecular Formula

  • C20-H24-Cl-N3-O2-S.C6-H10-O5

Molecular Formula Fragments

  • C20-H24-Cl-N3-O2-S
  • C6-H10-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24ClN3O2S.C6H10O5/c1-15(23(2)3)14-27(25,26)19-10-8-18(9-11-19)24-13-12-20(22-24)16-4-6-17(21)7-5-16;1-3(7)6(10)11-4(2)5(8)9/h4-11,15H,12-14H2,1-3H3;3-4,7H,1-2H3,(H,8,9)

InChIKey

BHQIKNHQBWVNFD-UHFFFAOYSA-N

Smiles

CC(CS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(cc3)Cl)N(C)C.CC(C(=O)OC(C)C(=O)O)O