aluminum octadecanoate tribenzoate

Systemtic Name: aluminum octadecanoate tribenzoate Openeye Name: aluminum octadecanoate tribenzoate CAS Name: aluminum octadecanoate tribenzoate IUPAC Name: aluminum octadecanoate tribenzoate Traditional Name: aluminum stearate tribenzoate Formula: C39H50AlO8- MolecularWeight: 673.791038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=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]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=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]

InChI

InChI=1S/C18H36O2.3C7H6O2.Al/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*8-7(9)6-4-2-1-3-5-6;/h2-17H2,1H3,(H,19,20);3*1-5H,(H,8,9);/q;;;;+3/p-4