aluminum 2-[octyl(oxidanyl)amino]-2-oxidanyl-ethanoate

Systemtic Name: aluminum 2-[octyl(oxidanyl)amino]-2-oxidanyl-ethanoate Openeye Name: aluminum 2-hydroxy-2-[hydroxy(octyl)amino]acetate CAS Name: aluminum 2-hydroxy-2-[hydroxy(octyl)amino]acetate IUPAC Name: aluminum 2-hydroxy-2-[hydroxy(octyl)amino]acetate Traditional Name: aluminum 2-hydroxy-2-[hydroxy(octyl)amino]acetate Formula: C30H60AlN3O12 MolecularWeight: 681.791838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H21NO4.Al/c3*1-2-3-4-5-6-7-8-11(15)9(12)10(13)14;/h3*9,12,15H,2-8H2,1H3,(H,13,14);/q;;;+3/p-3