aluminum 2-propan-2-yloxy-2-(2-propan-2-yloxyethanoyl)hexanoate

Systemtic Name: aluminum 2-propan-2-yloxy-2-(2-propan-2-yloxyethanoyl)hexanoate Openeye Name: aluminum 2-isopropoxy-2-(2-isopropoxyacetyl)hexanoate CAS Name: aluminum 2-(1-oxo-2-propan-2-yloxyethyl)-2-propan-2-yloxyhexanoate IUPAC Name: aluminum 2-propan-2-yloxy-2-(2-propan-2-yloxyacetyl)hexanoate Traditional Name: aluminum 2-isopropoxy-2-(2-isopropoxyacetyl)hexanoate Formula: C42H75AlO15 MolecularWeight: 847.017438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)COC(C)C)(C(=O)[O-])OC(C)C.CCCCC(C(=O)COC(C)C)(C(=O)[O-])OC(C)C.CCCCC(C(=O)COC(C)C)(C(=O)[O-])OC(C)C.[Al+3]

Isomeric SMILES

CCCCC(C(=O)COC(C)C)(C(=O)[O-])OC(C)C.CCCCC(C(=O)COC(C)C)(C(=O)[O-])OC(C)C.CCCCC(C(=O)COC(C)C)(C(=O)[O-])OC(C)C.[Al+3]

InChI

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