aluminum; 3-(2-ethylhexoxymethyl)heptane; 2-ethyl-3-oxidanylidene-butanoate

Systemtic Name: aluminum; 3-(2-ethylhexoxymethyl)heptane; 2-ethyl-3-oxidanylidene-butanoate Openeye Name: aluminum; 3-(2-ethylhexoxymethyl)heptane; 2-ethyl-3-oxo-butanoate CAS Name: aluminum; 3-(2-ethylhexoxymethyl)heptane; 2-ethyl-3-oxobutanoate IUPAC Name: aluminum; 3-(2-ethylhexoxymethyl)heptane; 2-ethyl-3-oxobutanoate Traditional Name: aluminum; 3-(2-ethylhexoxymethyl)heptane; 2-ethyl-3-keto-butyrate Formula: C34H61AlO10 MolecularWeight: 656.823678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COCC(CC)CCCC.CCC(C(=O)C)C(=O)[O-].CCC(C(=O)C)C(=O)[O-].CCC(C(=O)C)C(=O)[O-].[Al+3]

Isomeric SMILES

CCCCC(CC)COCC(CC)CCCC.CCC(C(=O)C)C(=O)[O-].CCC(C(=O)C)C(=O)[O-].CCC(C(=O)C)C(=O)[O-].[Al+3]

InChI

InChI=1S/C16H34O.3C6H10O3.Al/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;3*1-3-5(4(2)7)6(8)9;/h15-16H,5-14H2,1-4H3;3*5H,3H2,1-2H3,(H,8,9);/q;;;;+3/p-3