rel-(1′R,6′R)-7-Chloro-4,6-dimethoxy-6′-methyl-2′-(methylthio)spiro[benzofuran-2(3H),1′-[2]cyclohexene]-3,4′-dione

CAS Registry Number®

130423-14-2

CAS Name

rel-(1′R,6′R)-7-Chloro-4,6-dimethoxy-6′-methyl-2′-(methylthio)spiro[benzofuran-2(3H),1′-[2]cyclohexene]-3,4′-dione

Molecular Formula

C17H17ClO5S

Molecular Mass

368.83

Cite this Page

rel-(1′R,6′R)-7-Chloro-4,6-dimethoxy-6′-methyl-2′-(methylthio)spiro[benzofuran-2(3H),1′-[2]cyclohexene]-3,4′-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=130423-14-2 (retrieved 2025-01-03) (CAS RN: 130423-14-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    234-236 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1/C17H17ClO5S/c1-8-5-9(19)6-12(24-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)23-17/h6-8H,5H2,1-4H3/t8-,17+/s2

InChIKey

InChIKey=DCCZLOASKLQMQQ-HEZUXZAVNA-N

SMILES

O=C1[C@@]2(OC=3C1=C(OC)C=C(OC)C3Cl)C(SC)=CC(=O)C[C@H]2C

Canonical SMILES

O=C1C=C(SC)C2(OC=3C(Cl)=C(OC)C=C(OC)C3C2=O)C(C)C1

Other Names for this Substance

  • Spiro[benzofuran-2(3H),1′-[2]cyclohexene]-3,4′-dione, 7-chloro-4,6-dimethoxy-6′-methyl-2′-(methylthio)-, (1′R,6′R)-rel-
  • Spiro[benzofuran-2(3H),1′-[2]cyclohexene]-3,4′-dione, 7-chloro-4,6-dimethoxy-6′-methyl-2′-(methylthio)-, trans-(±)-
  • Spiro[benzofuran-2(3H),1′-[2]cyclohexene]-3,4′-dione, 7-chloro-4,6-dimethoxy-6′-methyl-2′-(methylthio)-, trans-
  • rel-(1′R,6′R)-7-Chloro-4,6-dimethoxy-6′-methyl-2′-(methylthio)spiro[benzofuran-2(3H),1′-[2]cyclohexene]-3,4′-dione
  • dl-2-Demethoxy-2-methylthiogriseofulvin

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