aluminum 2,2-diethyl-3-oxidanylidene-4,4-di(propan-2-yloxy)butanoate

Systemtic Name: aluminum 2,2-diethyl-3-oxidanylidene-4,4-di(propan-2-yloxy)butanoate Openeye Name: aluminum 2,2-diethyl-4,4-diisopropoxy-3-oxo-butanoate CAS Name: aluminum 2,2-diethyl-3-oxo-4,4-di(propan-2-yloxy)butanoate IUPAC Name: aluminum 2,2-diethyl-3-oxo-4,4-di(propan-2-yloxy)butanoate Traditional Name: aluminum 2,2-diethyl-4,4-diisopropoxy-3-keto-butyrate Formula: C42H75AlO15 MolecularWeight: 847.017438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)C(OC(C)C)OC(C)C)C(=O)[O-].CCC(CC)(C(=O)C(OC(C)C)OC(C)C)C(=O)[O-].CCC(CC)(C(=O)C(OC(C)C)OC(C)C)C(=O)[O-].[Al+3]

Isomeric SMILES

CCC(CC)(C(=O)C(OC(C)C)OC(C)C)C(=O)[O-].CCC(CC)(C(=O)C(OC(C)C)OC(C)C)C(=O)[O-].CCC(CC)(C(=O)C(OC(C)C)OC(C)C)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C14H26O5.Al/c3*1-7-14(8-2,13(16)17)11(15)12(18-9(3)4)19-10(5)6;/h3*9-10,12H,7-8H2,1-6H3,(H,16,17);/q;;;+3/p-3