9-(Ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid

CAS Registry Number®

489-49-6

CAS Name

9-(Ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid

Molecular Formula

C20H18O9

Molecular Mass

402.35

Cite this Page

9-(Ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=489-49-6 (retrieved 2024-11-22) (CAS RN: 489-49-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H18O9/c1-4-27-7-11-15(23)14(19(24)25)9(3)16-18(11)29-20(26)13-8(2)5-12(22)10(6-21)17(13)28-16/h5-6,22-23H,4,7H2,1-3H3,(H,24,25)

InChIKey

InChIKey=SPLUKWYWJOQKMJ-UHFFFAOYSA-N

SMILES

CC1=C2C(=C(COCC)C(O)=C1C(O)=O)OC(=O)C=3C(O2)=C(C=O)C(O)=CC3C

Canonical SMILES

O=CC1=C(O)C=C(C=2C(=O)OC3=C(OC12)C(=C(C(=O)O)C(O)=C3COCC)C)C

Other Names for this Substance

  • 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 9-(ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-
  • Isophthalaldehydic acid, 2-[(3-carboxy-α5-ethoxy-4,6-dihydroxy-2,5-xylyl)oxy]-4-hydroxy-6-methyl-, ε-lactone
  • 9-(Ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
  • Cetraric acid
  • Cetrarin

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Deleted or Replaced CAS Registry Numbers

1398-53-4

CAS INSIGHTSTM
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