Protocetraric acid
CAS Registry Number®
489-51-0
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CAS Name
Protocetraric acidMolecular Formula
C18H14O9Molecular Mass
374.30Cite this Page
Protocetraric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=489-51-0 (retrieved ) (CAS RN: 489-51-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)
InChIKey
InChIKey=VOXMONAUSQZPTP-UHFFFAOYSA-N
SMILES
CC1=C2C(=C(CO)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)=C3CO)C)C
Other Names for this Substance
- 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4-formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-
- Protocetraric acid
- Isophthalaldehydic acid, 2-[(3-carboxy-α5,4,6-trihydroxy-2,5-xylyl)oxy]-4-hydroxy-6-methyl-, ε-lactone
- 4-Formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid