aluminum 2-methyl-2-oxidanyl-3-oxidanylidene-icosanoate

Systemtic Name: aluminum 2-methyl-2-oxidanyl-3-oxidanylidene-icosanoate Openeye Name: aluminum 2-hydroxy-2-methyl-3-oxo-icosanoate CAS Name: aluminum 2-hydroxy-2-methyl-3-oxoeicosanoate IUPAC Name: aluminum 2-hydroxy-2-methyl-3-oxoicosanoate Traditional Name: aluminum 2-hydroxy-3-keto-2-methyl-arachidate Formula: C63H117AlO12 MolecularWeight: 1093.577418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C21H40O4.Al/c3*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)21(2,25)20(23)24;/h3*25H,3-18H2,1-2H3,(H,23,24);/q;;;+3/p-3