1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4R)-rel-

CAS Registry Number®

134071-44-6
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CAS Name

1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4R)-rel-

Molecular Formula

C21H20Cl2N2O5S

Molecular Mass

483.36

Cite this Page

1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4R)-rel-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=134071-44-6 (retrieved 2024-04-29) (CAS RN: 134071-44-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C21H20Cl2N2O5S/c1-15-2-5-18(6-3-15)31(26,27)29-12-17-11-28-21(30-17,13-25-9-8-24-14-25)19-7-4-16(22)10-20(19)23/h2-10,14,17H,11-13H2,1H3/t17-,21+/s2

InChIKey

InChIKey=WAXNIYHZFWRPGS-AURADERDNA-N

SMILES

C([C@]1(O[C@@H](COS(=O)(=O)C2=CC=C(C)C=C2)CO1)C3=C(Cl)C=C(Cl)C=C3)N4C=CN=C4

Canonical SMILES

O=S(=O)(OCC1OC(OC1)(C2=CC=C(Cl)C=C2Cl)CN3C=NC=C3)C4=CC=C(C=C4)C

Other Names for this Substance

  • 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4R)-rel-
  • 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-methylbenzenesulfonate (ester), cis-
  • 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-methylbenzenesulfonate (ester), (2R,4R)-rel-

Deleted or Replaced CAS Registry Numbers

113770-69-7

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