5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 1,4-butanediyl ester
CAS Registry Number®
2899-87-8
CAS Name
5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 1,4-butanediyl esterMolecular Formula
C22H14O10Molecular Mass
438.34Cite 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 ) (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
