5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 1,4-butanediyl ester

CAS Registry Number®

2899-87-8
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CAS Name

5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 1,4-butanediyl ester

Molecular Formula

C22H14O10

Molecular Mass

438.34

Cite this Page

5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 1,4-butanediyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2899-87-8 (retrieved 2024-08-22) (CAS RN: 2899-87-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H14O10/c23-17(11-3-5-13-15(9-11)21(27)31-19(13)25)29-7-1-2-8-30-18(24)12-4-6-14-16(10-12)22(28)32-20(14)26/h3-6,9-10H,1-2,7-8H2

InChIKey

InChIKey=MRIBVVVTDMUFHN-UHFFFAOYSA-N

SMILES

O=C1C=2C(C(=O)O1)=CC=C(C(OCCCCOC(=O)C=3C=C4C(=CC3)C(=O)OC4=O)=O)C2

Canonical SMILES

O=C1OC(=O)C2=CC(=CC=C12)C(=O)OCCCCOC(=O)C3=CC=C4C(=O)OC(=O)C4=C3

Other Names for this Substance

  • 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 1,4-butanediyl ester
  • 1,2,4-Benzenetricarboxylic acid, 1,2-anhydride, tetramethylene ester

Deleted or Replaced CAS Registry Numbers

67970-78-9