aluminum; nonanedioate; octadecanoate

Systemtic Name: aluminum; nonanedioate; octadecanoate Openeye Name: aluminum; nonanedioate; octadecanoate CAS Name: aluminum; nonanedioate; octadecanoate IUPAC Name: aluminum; nonanedioate; octadecanoate Traditional Name: aluminum; azelaate; stearate Formula: C27H49AlO6 MolecularWeight: 496.655898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.C9H16O4.Al/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;10-8(11)6-4-2-1-3-5-7-9(12)13;/h2-17H2,1H3,(H,19,20);1-7H2,(H,10,11)(H,12,13);/q;;+3/p-3