4-(1,1-Dimethylethyl)-ε-oxobenzenehexanoic acid

CAS Registry Number®

898791-43-0
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CAS Name

4-(1,1-Dimethylethyl)-ε-oxobenzenehexanoic acid

Molecular Formula

C16H22O3

Molecular Mass

262.34

Cite this Page

4-(1,1-Dimethylethyl)-ε-oxobenzenehexanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898791-43-0 (retrieved 2024-09-15) (CAS RN: 898791-43-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H22O3/c1-16(2,3)13-10-8-12(9-11-13)14(17)6-4-5-7-15(18)19/h8-11H,4-7H2,1-3H3,(H,18,19)

InChIKey

InChIKey=WBPZIZTWKYCJSM-UHFFFAOYSA-N

SMILES

C(CCCCC(O)=O)(=O)C1=CC=C(C(C)(C)C)C=C1

Canonical SMILES

O=C(O)CCCCC(=O)C1=CC=C(C=C1)C(C)(C)C

Other Names for this Substance

  • Benzenehexanoic acid, 4-(1,1-dimethylethyl)-ε-oxo-
  • 4-(1,1-Dimethylethyl)-ε-oxobenzenehexanoic acid