aluminum octadecaneperoxoic acid tribenzoate

Systemtic Name: aluminum octadecaneperoxoic acid tribenzoate Openeye Name: aluminum octadecaneperoxoic acid tribenzoate CAS Name: aluminum octadecaneperoxoic acid tribenzoate IUPAC Name: aluminum octadecaneperoxoic acid tribenzoate Traditional Name: aluminum peroxystearic acid tribenzoate Formula: C75H123AlO15 MolecularWeight: 1291.751658

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Descriptors Computed from Structure

Canonical SMILES:

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