aluminum 2,2-dibutyl-3-oxidanylidene-octanoate

Systemtic Name: aluminum 2,2-dibutyl-3-oxidanylidene-octanoate Openeye Name: aluminum 2,2-dibutyl-3-oxo-octanoate CAS Name: aluminum 2,2-dibutyl-3-oxooctanoate IUPAC Name: aluminum 2,2-dibutyl-3-oxooctanoate Traditional Name: aluminum 2,2-dibutyl-3-keto-caprylate Formula: C48H87AlO9 MolecularWeight: 835.180518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(CCCC)(CCCC)C(=O)[O-].CCCCCC(=O)C(CCCC)(CCCC)C(=O)[O-].CCCCCC(=O)C(CCCC)(CCCC)C(=O)[O-].[Al+3]

Isomeric SMILES

CCCCCC(=O)C(CCCC)(CCCC)C(=O)[O-].CCCCCC(=O)C(CCCC)(CCCC)C(=O)[O-].CCCCCC(=O)C(CCCC)(CCCC)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C16H30O3.Al/c3*1-4-7-10-11-14(17)16(15(18)19,12-8-5-2)13-9-6-3;/h3*4-13H2,1-3H3,(H,18,19);/q;;;+3/p-3