aluminum octadecanoate benzoate phosphate

Systemtic Name: aluminum octadecanoate benzoate phosphate Openeye Name: aluminum octadecanoate benzoate phosphate CAS Name: aluminum octadecanoate benzoate phosphate IUPAC Name: aluminum octadecanoate benzoate phosphate Traditional Name: aluminum stearate benzoate phosphate Formula: C25H40AlO8P-2 MolecularWeight: 526.535599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.C7H6O2.Al.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-7(9)6-4-2-1-3-5-6;;1-5(2,3)4/h2-17H2,1H3,(H,19,20);1-5H,(H,8,9);;(H3,1,2,3,4)/q;;+3;/p-5