Chlorogenoquinone

CAS Registry Number®

24321-18-4

CAS Name

Chlorogenoquinone

Molecular Formula

C16H16O9

Molecular Mass

352.29

Cite this Page

Chlorogenoquinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24321-18-4 (retrieved 2024-11-08) (CAS RN: 24321-18-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H16O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,19,21,24H,6-7H2,(H,22,23)

InChIKey

InChIKey=ITENTBHADJNDDH-UHFFFAOYSA-N

SMILES

O(C(C=CC1=CC(=O)C(=O)C=C1)=O)C2CC(C(O)=O)(O)CC(O)C2O

Canonical SMILES

O=C(OC1CC(O)(C(=O)O)CC(O)C1O)C=CC=2C=CC(=O)C(=O)C2

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 3-[[3-(3,4-dioxo-1,5-cyclohexadien-1-yl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-
  • Chlorogenoquinone
  • 3-[[3-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
  • Chlorogenic acid quinone

CAS INSIGHTSTM
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