dialuminum octadecanoate tribenzoate

Systemtic Name: dialuminum octadecanoate tribenzoate Openeye Name: dialuminum octadecanoate tribenzoate CAS Name: dialuminum octadecanoate tribenzoate IUPAC Name: dialuminum octadecanoate tribenzoate Traditional Name: dialuminum stearate tribenzoate Formula: C75H120Al2O12 MolecularWeight: 1267.711176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].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].[Al+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].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].[Al+3]

InChI

InChI=1S/3C18H36O2.3C7H6O2.2Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*8-7(9)6-4-2-1-3-5-6;;/h3*2-17H2,1H3,(H,19,20);3*1-5H,(H,8,9);;/q;;;;;;2*+3/p-6