aluminum 12-oxidanyloctadec-9-enoate

Systemtic Name: aluminum 12-oxidanyloctadec-9-enoate Openeye Name: aluminum 12-hydroxyoctadec-9-enoate CAS Name: aluminum 12-hydroxy-9-octadecenoate IUPAC Name: aluminum 12-hydroxyoctadec-9-enoate Traditional Name: aluminum 12-hydroxyoctadec-9-enoate Formula: C54H99AlO9 MolecularWeight: 919.339998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H34O3.Al/c3*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h3*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;;+3/p-3