aluminum 12-oxidanyloctadecanoate

Systemtic Name: aluminum 12-oxidanyloctadecanoate Openeye Name: aluminum 12-hydroxyoctadecanoate CAS Name: aluminum 12-hydroxyoctadecanoate IUPAC Name: aluminum 12-hydroxyoctadecanoate Traditional Name: aluminum 12-hydroxystearate Formula: C54H105AlO9 MolecularWeight: 925.387638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCC(CCCCCCCCCCC(=O)[O-])O.[Al+3]

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCC(CCCCCCCCCCC(=O)[O-])O.[Al+3]

InChI

InChI=1S/3C18H36O3.Al/c3*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h3*17,19H,2-16H2,1H3,(H,20,21);/q;;;+3/p-3