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Substance Name: Triethylamine, 2-(p-(6-(p-chlorophenyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)phenoxy)-, citrate, hemihydrate
RN: 14097-32-6
InChIKey: KAXSIQDDTQOVSX-UHFFFAOYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C29-H34-Cl-N-O.C6-H8-O7.1/2H2-O

Molecular Weight

  • 640.169
 
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Names and Synonyms

  • Triethylamine, 2-(p-(6-(p-chlorophenyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)phenoxy)-, citrate, hemihydrate

Registry Numbers

CAS Registry Number

  • 14097-32-6

System Generated Number

  • 0014097326

Molecular Formulas

Molecular Formula

  • C29-H34-Cl-N-O.C6-H8-O7.1/2H2-O

Molecular Formula Fragments

  • C29-H34-Cl-N-O
  • C6-H8-O7
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C29H34ClNO.C6H8O7/c1-3-31(4-2)20-21-32-26-18-14-24(15-19-26)29-27-10-6-5-8-22(27)9-7-11-28(29)23-12-16-25(30)17-13-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-6,8,10,12-19,28-29H,3-4,7,9,11,20-21H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

KAXSIQDDTQOVSX-UHFFFAOYSA-N

Smiles

N(CCOc1ccc([C@@H]2[C@@H](c3ccc(cc3)Cl)CCCc3ccccc23)cc1)(CC)CC.C(CC(O)(C(=O)O)CC(=O)O)(=O)O