4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester

CAS Registry Number®

41026-17-9
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CAS Name

4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester

Molecular Formula

C21H28O8

Molecular Mass

408.44

Cite this Page

4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=41026-17-9 (retrieved 2024-09-19) (CAS RN: 41026-17-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H28O8/c1-21(2,11-28-19(26)15-9-5-3-7-13(15)17(22)23)12-29-20(27)16-10-6-4-8-14(16)18(24)25/h3-6,13-16H,7-12H2,1-2H3,(H,22,23)(H,24,25)

InChIKey

InChIKey=WYEWIMCFHPCSOP-UHFFFAOYSA-N

SMILES

C(OCC(COC(=O)C1C(C(O)=O)CC=CC1)(C)C)(=O)C2C(C(O)=O)CC=CC2

Canonical SMILES

O=C(O)C1CC=CCC1C(=O)OCC(C)(C)COC(=O)C2CC=CCC2C(=O)O

Other Names for this Substance

  • 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester
  • Neopentyl glycol bis(tetrahydrophthalate)