aluminum 2-oxidanyl-2-[oxidanyl-[(E)-undec-2-enoyl]amino]ethanoate

Systemtic Name: aluminum 2-oxidanyl-2-[oxidanyl-[(E)-undec-2-enoyl]amino]ethanoate Openeye Name: aluminum 2-hydroxy-2-[hydroxy-[(E)-undec-2-enoyl]amino]acetate CAS Name: aluminum 2-hydroxy-2-[hydroxy-[(E)-1-oxoundec-2-enyl]amino]acetate IUPAC Name: aluminum 2-hydroxy-2-[hydroxy-[(E)-undec-2-enoyl]amino]acetate Traditional Name: aluminum 2-hydroxy-2-[hydroxy-[(E)-undec-2-enoyl]amino]acetate Formula: C39H66AlN3O15 MolecularWeight: 843.933978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC(=O)N(C(C(=O)[O-])O)O.CCCCCCCCC=CC(=O)N(C(C(=O)[O-])O)O.CCCCCCCCC=CC(=O)N(C(C(=O)[O-])O)O.[Al+3]

Isomeric SMILES

CCCCCCCC/C=C/C(=O)N(O)C(O)C(=O)[O-].CCCCCCCC/C=C/C(=O)N(O)C(O)C(=O)[O-].CCCCCCCC/C=C/C(=O)N(O)C(O)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C13H23NO5.Al/c3*1-2-3-4-5-6-7-8-9-10-11(15)14(19)12(16)13(17)18;/h3*9-10,12,16,19H,2-8H2,1H3,(H,17,18);/q;;;+3/p-3/b3*10-9+;