aluminum 6-azanyl-2-[octyl(oxidanyl)amino]-2-oxidanyl-hexanoate

Systemtic Name: aluminum 6-azanyl-2-[octyl(oxidanyl)amino]-2-oxidanyl-hexanoate Openeye Name: aluminum 6-amino-2-hydroxy-2-[hydroxy(octyl)amino]hexanoate CAS Name: aluminum 6-amino-2-hydroxy-2-[hydroxy(octyl)amino]hexanoate IUPAC Name: aluminum 6-amino-2-hydroxy-2-[hydroxy(octyl)amino]hexanoate Traditional Name: aluminum 6-amino-2-hydroxy-2-[hydroxy(octyl)amino]hexanoate Formula: C42H87AlN6O12 MolecularWeight: 895.154718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C14H30N2O4.Al/c3*1-2-3-4-5-6-9-12-16(20)14(19,13(17)18)10-7-8-11-15;/h3*19-20H,2-12,15H2,1H3,(H,17,18);/q;;;+3/p-3