(2S)-2-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]butanedioic acid

CAS Registry Number®

53755-04-7

CAS Name

(2S)-2-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]butanedioic acid

Molecular Formula

C13H12O8

Molecular Mass

296.23

Cite this Page

(2S)-2-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]butanedioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53755-04-7 (retrieved 2024-12-22) (CAS RN: 53755-04-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+/t10-/m0/s1

InChIKey

InChIKey=PMKQSEYPLQIEAY-YWNRKNDBSA-N

SMILES

C(=C/C(O[C@@H](CC(O)=O)C(O)=O)=O)\C1=CC(O)=C(O)C=C1

Canonical SMILES

O=C(OC(C(=O)O)CC(=O)O)C=CC1=CC=C(O)C(O)=C1

Other Names for this Substance

  • Butanedioic acid, 2-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (2S)-
  • Phaselic acid
  • Butanedioic acid, [[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-, [S-(E)]-
  • Butanedioic acid, [[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-, (2S)-
  • (2S)-2-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]butanedioic acid

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.