rel-(4Z)-6-[(2R,4R,5S)-2-(2-Chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-4-hexenoic acid

CAS Registry Number®

117621-64-4

CAS Name

rel-(4Z)-6-[(2R,4R,5S)-2-(2-Chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-4-hexenoic acid

Molecular Formula

C22H23ClO5

Molecular Mass

402.87

Cite this Page

rel-(4Z)-6-[(2R,4R,5S)-2-(2-Chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-4-hexenoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117621-64-4 (retrieved 2024-11-24) (CAS RN: 117621-64-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    124-126 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1/C22H23ClO5/c23-18-11-6-4-9-16(18)22-27-14-15(8-2-1-3-13-20(25)26)21(28-22)17-10-5-7-12-19(17)24/h1-2,4-7,9-12,15,21-22,24H,3,8,13-14H2,(H,25,26)/b2-1-/t15-,21+,22+/s2

InChIKey

InChIKey=WHUIENZXNGAHQI-KGHIPOOSNA-N

SMILES

C(/C=C\CCC(O)=O)[C@@H]1[C@@H](O[C@@H](OC1)C2=C(Cl)C=CC=C2)C3=C(O)C=CC=C3

Canonical SMILES

O=C(O)CCC=CCC1COC(OC1C=2C=CC=CC2O)C=3C=CC=CC3Cl

Other Names for this Substance

  • 4-Hexenoic acid, 6-[(2R,4R,5S)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-, (4Z)-rel-
  • 4-Hexenoic acid, 6-[2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-, [2α,4α,5α(Z)]-
  • rel-(4Z)-6-[(2R,4R,5S)-2-(2-Chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-4-hexenoic acid
  • ICI 192605
  • ICI 191606

Deleted or Replaced CAS Registry Numbers

106427-72-9

CAS INSIGHTSTM
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