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Details

Stereochemistry RACEMIC
Molecular Formula C6H9O3.2C4H9O.Al
Molecular Weight 302.3427
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALUMINUM ETHYL ACETOACETATE DI-SEC-BUTYLATE

SMILES

[Al+3].CCC(C)[O-].CCC(C)[O-].CCOC(=O)[CH-]C(C)=O

InChI

InChIKey=ATBLFWWYGKIKRM-UHFFFAOYSA-N
InChI=1S/C6H9O3.2C4H9O.Al/c1-3-9-6(8)4-5(2)7;2*1-3-4(2)5;/h4H,3H2,1-2H3;2*4H,3H2,1-2H3;/q3*-1;+3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
ALUMINUM ETHYL ACETOACETATE DI-SEC-BUTYLATE
Common Name English
BIS(2-BUTANOLATO)ALUMINUM ETHYL ACETOACETATE
Preferred Name English
ALUMINUM, BIS(2-BUTANOLATO)(ETHYL 3-(OXO-.KAPPA.O)BUTANOATO-.KAPPA.O')-, (T-4)-
Systematic Name English
ALUMINUM BUTAN-2-OLATE (2Z)-4-ETHOXY-4-OXOBUT-2-EN-2-OLATE (1:2:1)
Systematic Name English
Code System Code Type Description
CAS
24772-51-8
Created by admin on Mon Mar 31 22:14:49 GMT 2025 , Edited by admin on Mon Mar 31 22:14:49 GMT 2025
PRIMARY
FDA UNII
JL3AE7BPOQ
Created by admin on Mon Mar 31 22:14:49 GMT 2025 , Edited by admin on Mon Mar 31 22:14:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID8044622
Created by admin on Mon Mar 31 22:14:49 GMT 2025 , Edited by admin on Mon Mar 31 22:14:49 GMT 2025
PRIMARY
NIH
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