Octadecanoic acid, 1-[3-[4-[2-(benzoylamino)ethyl]phenoxy]-1-methyl-1-propenyl]-4-methyl-3-pentenyl ester, (E)-

CAS Registry Number®

126005-91-2

CAS Name

Octadecanoic acid, 1-[3-[4-[2-(benzoylamino)ethyl]phenoxy]-1-methyl-1-propenyl]-4-methyl-3-pentenyl ester, (E)-

Molecular Formula

C43H65NO4

Molecular Mass

659.98

Cite this Page

Octadecanoic acid, 1-[3-[4-[2-(benzoylamino)ethyl]phenoxy]-1-methyl-1-propenyl]-4-methyl-3-pentenyl ester, (E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126005-91-2 (retrieved 2024-12-18) (CAS RN: 126005-91-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    65 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C43H65NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-42(45)48-41(31-26-36(2)3)37(4)33-35-47-40-29-27-38(28-30-40)32-34-44-43(46)39-23-20-19-21-24-39/h19-21,23-24,26-30,33,41H,5-18,22,25,31-32,34-35H2,1-4H3,(H,44,46)/b37-33+

InChIKey

InChIKey=AKRJIIVORCSJLA-LAWMERGMSA-N

SMILES

O(C/C=C(/C(OC(CCCCCCCCCCCCCCCCC)=O)CC=C(C)C)\C)C1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1

Canonical SMILES

O=C(OC(C(=CCOC1=CC=C(C=C1)CCNC(=O)C=2C=CC=CC2)C)CC=C(C)C)CCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Octadecanoic acid, 1-[3-[4-[2-(benzoylamino)ethyl]phenoxy]-1-methyl-1-propenyl]-4-methyl-3-pentenyl ester, (E)-
  • Acidissimin
  • Acidissiminin
  • Acidissiminine

CAS INSIGHTSTM
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