1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate

CAS Registry Number®

125722-33-0
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CAS Name

1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate

Molecular Formula

C18H18O4S

Molecular Mass

330.40

Cite this Page

1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125722-33-0 (retrieved 2024-06-17) (CAS RN: 125722-33-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H18O4S/c1-12-10-14(5-6-15-4-3-9-23-15)11-13(2)18(12)22-17(21)8-7-16(19)20/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)

InChIKey

InChIKey=OIDYLVFJAIPWBI-UHFFFAOYSA-N

SMILES

O(C(CCC(O)=O)=O)C1=C(C)C=C(C=CC2=CC=CS2)C=C1C

Canonical SMILES

O=C(O)CCC(=O)OC=1C(=CC(C=CC=2SC=CC2)=CC1C)C

Other Names for this Substance

  • Butanedioic acid, 1-[2,6-dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] ester
  • Butanedioic acid, mono[2,6-dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] ester
  • 1-[2,6-Dimethyl-4-[2-(2-thienyl)ethenyl]phenyl] butanedioate

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