dialuminum 12-oxidanyloctadecanoate tribenzoate

Systemtic Name: dialuminum 12-oxidanyloctadecanoate tribenzoate Openeye Name: dialuminum 12-hydroxyoctadecanoate tribenzoate CAS Name: dialuminum 12-hydroxyoctadecanoate tribenzoate IUPAC Name: dialuminum 12-hydroxyoctadecanoate tribenzoate Traditional Name: dialuminum 12-hydroxystearate tribenzoate Formula: C75H120Al2O15 MolecularWeight: 1315.709376

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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.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Al+3].[Al+3]

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCC(CCCCCCCCCCC(=O)[O-])O.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Al+3].[Al+3]

InChI

InChI=1S/3C18H36O3.3C7H6O2.2Al/c3*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;3*8-7(9)6-4-2-1-3-5-6;;/h3*17,19H,2-16H2,1H3,(H,20,21);3*1-5H,(H,8,9);;/q;;;;;;2*+3/p-6