Ioxynil octanoate

CAS Registry Number®

3861-47-0

CAS Name

Ioxynil octanoate

Molecular Formula

C15H17I2NO2

Molecular Mass

497.11

Cite this Page

Ioxynil octanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3861-47-0 (retrieved 2024-11-21) (CAS RN: 3861-47-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    59.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3

InChIKey

InChIKey=QBEXFUOWUYCXNI-UHFFFAOYSA-N

SMILES

O(C(CCCCCCC)=O)C1=C(I)C=C(C#N)C=C1I

Canonical SMILES

N#CC1=CC(I)=C(OC(=O)CCCCCCC)C(I)=C1

Other Names for this Substance

  • Octanoic acid, 4-cyano-2,6-diiodophenyl ester
  • Octanoic acid, ester with 4-hydroxy-3,5-diiodobenzonitrile
  • Ioxynil octanoate
  • 3,5-Diiodo-4-n-octanoyloxybenzonitrile
  • MB 11641

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Deleted or Replaced CAS Registry Numbers

33964-25-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration