Diffractaic acid

CAS Registry Number®

436-32-8

CAS Name

Diffractaic acid

Molecular Formula

C20H22O7

Molecular Mass

374.38

Cite this Page

Diffractaic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=436-32-8 (retrieved 2024-11-21) (CAS RN: 436-32-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    189-190 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H22O7/c1-9-8-14(11(3)17(21)15(9)19(22)23)27-20(24)16-10(2)7-13(25-5)12(4)18(16)26-6/h7-8,21H,1-6H3,(H,22,23)

InChIKey

InChIKey=MIJKZXWOOXIEEU-UHFFFAOYSA-N

SMILES

C(OC1=C(C)C(O)=C(C(O)=O)C(C)=C1)(=O)C2=C(OC)C(C)=C(OC)C=C2C

Canonical SMILES

O=C(O)C1=C(O)C(=C(OC(=O)C2=C(OC)C(=C(OC)C=C2C)C)C=C1C)C

Other Names for this Substance

  • Benzoic acid, 2,4-dimethoxy-3,6-dimethyl-, 4-carboxy-3-hydroxy-2,5-dimethylphenyl ester
  • β-Resorcylic acid, 3,6-dimethyl-, 4-(2,4-dimethoxy-3,6-dimethylbenzoate)
  • Diffractaic acid
  • NSC 685595
  • Difractaic acid

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