CAS Registry Number®
80481-35-2
CAS Name
(T-4)-[(9Z)-9-Octadecen-1-yl 3-(oxo-κO)butanoato-κO′]bis(2-propanolato)aluminum
Molecular Formula
C28H53AlO5
Molecular Mass
496.70
Other Names and Identifiers
InChI
InChI=1S/C22H39O3.2C3H7O.Al/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22(24)20-21(2)23;2*1-3(2)4;/h10-11,20H,3-9,12-19H2,1-2H3;2*3H,1-2H3;/q3*-1;+3/b11-10-;;;
InChIKey
InChIKey=BIOHJEKMHFKAOF-RVVQQURLSA-N
SMILES
[O-](C(C)C)[Al+3]1([O-]C(C)C)O=C(OCCCCCCCC/C=C\CCCCCCCC)[CH-]C(C)=O1
Canonical SMILES
O(C1=O[Al+3](O=C([CH-]1)C)([O-]C(C)C)[O-]C(C)C)CCCCCCCCC=CCCCCCCCC
Other Names for this Substance
- Aluminum, [(9Z)-9-octadecen-1-yl 3-(oxo-κO)butanoato-κO′]bis(2-propanolato)-, (T-4)-
- Aluminum, (9-octadecenyl 3-oxobutanoato-O1′,O3)bis(2-propanolato)-, [T-4-(Z)]-
- Aluminum, [9-octadecenyl 3-(oxo-κO)butanoato-κO′]bis(2-propanolato)-, [T-4-(Z)]-
- Butanoic acid, 3-oxo-, 9-octadecenyl ester, aluminum complex, (Z)-
- 2-Propanol, aluminum complex
Deleted or Replaced CAS Registry Numbers
84431-91-4, 182479-05-6
