Chem
J-GLOBAL ID：200907003341755505   Nikkaji number：J429.738E

Tris[(9Z,12Z)-9,12-octadecadienoic acid]iron(III) salt

トリス[(9Z,12Z)-9,12-オクタデカジエン酸]鉄(III)
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C54H93FeO6
Molecular formula furigana： C54-H93-FE-O6
Molecular weight： 894.177
InChI： InChI=1S/3C18H32O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3/b3*7-6-,10-9-;
InChI key： AEJDTAYHARDWRW-VLKMOBIUSA-K
SMILES： CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[Fe](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Systematic name  (3)：
  • トリス[(9Z,12Z)-9,12-オクタデカジエン酸]鉄(III)
  • ビス[(9Z,12Z)-オクタデカ-9,12-ジエノイルオキシ]フェリオ (9Z,12Z)-オクタデカ-9,12-ジエノアート
  • bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]ferrio (9Z,12Z)-octadeca-9,12-dienoate
Other name (2)：
  • Tris[(9Z,12Z)-9,12-octadecadienoic acid]iron(III) salt
  • Tris[(9Z,12Z)-9,12-octadecadienoic acid] iron(III) salt
CAS registry number： 68109-59-1
Regulation number (2)：
  • TSCA(68109-59-1)
  • (2)-625
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