Barium, (3-methylbenzoato-O)(9-octadecenoato-O)-, (Z)-

CAS Registry Number®

85702-49-4

CAS Name

Barium, (3-methylbenzoato-O)(9-octadecenoato-O)-, (Z)-

Molecular Formula

C26H40BaO4

Molecular Mass

553.92

Cite this Page

Barium, (3-methylbenzoato-O)(9-octadecenoato-O)-, (Z)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85702-49-4 (retrieved 2025-05-10) (CAS RN: 85702-49-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H34O2.C8H8O2.Ba/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6-3-2-4-7(5-6)8(9)10;/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-5H,1H3,(H,9,10);/q;;+2/p-2/b10-9-;;

InChIKey

InChIKey=MOMRBIOOZZNUIV-XXAVUKJNSA-L

SMILES

C(O[Ba]OC(CCCCCCC/C=C\CCCCCCCC)=O)(=O)C1=CC(C)=CC=C1

Canonical SMILES

O=C(O[Ba]OC(=O)CCCCCCCC=CCCCCCCCC)C1=CC=CC(=C1)C

Other Names for this Substance

  • Barium, (3-methylbenzoato-O)(9-octadecenoato-O)-, (Z)-
  • Benzoic acid, 3-methyl-, barium complex
  • 9-Octadecenoic acid (Z)-, barium complex

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