aluminum 4,4-di(butan-2-yloxy)-3-oxidanylidene-hexanoate

Systemtic Name: aluminum 4,4-di(butan-2-yloxy)-3-oxidanylidene-hexanoate Openeye Name: aluminum 3-oxo-4,4-disec-butoxy-hexanoate CAS Name: aluminum 4,4-di(butan-2-yloxy)-3-oxohexanoate IUPAC Name: aluminum 4,4-di(butan-2-yloxy)-3-oxohexanoate Traditional Name: aluminum 3-keto-4,4-disec-butoxy-hexanoate Formula: C42H75AlO15 MolecularWeight: 847.017438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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