dialuminum 2-(octadecanoylamino)pentanedioate

Systemtic Name: dialuminum 2-(octadecanoylamino)pentanedioate Openeye Name: dialuminum 2-(octadecanoylamino)pentanedioate CAS Name: dialuminum 2-(1-oxooctadecylamino)pentanedioate IUPAC Name: dialuminum 2-(octadecanoylamino)pentanedioate Traditional Name: dialuminum 2-stearamidoglutarate Formula: C69H123Al2N3O15 MolecularWeight: 1288.689096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C23H43NO5.2Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;;/h3*20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);;/q;;;2*+3/p-6