dialuminum; butan-2-olate; octadecanoate

Systemtic Name: dialuminum; butan-2-olate; octadecanoate Openeye Name: dialuminum; butan-2-olate; octadecanoate CAS Name: dialuminum; 2-butanolate; octadecanoate IUPAC Name: dialuminum; butan-2-olate; octadecanoate Traditional Name: dialuminum; butan-2-olate; stearate Formula: C66H132Al2O9 MolecularWeight: 1123.711956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H36O2.3C4H9O.2Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3-4(2)5;;/h3*2-17H2,1H3,(H,19,20);3*4H,3H2,1-2H3;;/q;;;3*-1;2*+3/p-3