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Substance Name: (2-(1-(4-Chlorophenyl)-1-phenylethoxy)propyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
RN: 5964-37-4
InChIKey: NWXYYVAVFTZHND-UHFFFAOYSA-N

Molecular Formula

  • C19-H24-Cl-N-O.x-C6-H8-O7

Molecular Weight

  • 509.9798
 
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Names and Synonyms

Synonym

  • EINECS 227-744-0

Systematic Name

  • (2-(1-(4-Chlorophenyl)-1-phenylethoxy)propyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate

Registry Numbers

CAS Registry Number

  • 5964-37-4

System Generated Number

  • 0005964374

Molecular Formulas

Molecular Formula

  • C19-H24-Cl-N-O.x-C6-H8-O7

Molecular Formula Fragments

  • C19-H24-Cl-N-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C19H24ClNO.C6H8O7/c1-15(14-21(3)4)22-19(2,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-13,15H,14H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

NWXYYVAVFTZHND-UHFFFAOYSA-N

Smiles

CC(CN(C)C)OC(C)(c1ccccc1)c2ccc(cc2)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O