aluminum; 3-(dimethylamino)benzoic acid; 4-(dodecylamino)-4-oxidanylidene-butanoic acid; trihydroxide

Systemtic Name: aluminum; 3-(dimethylamino)benzoic acid; 4-(dodecylamino)-4-oxidanylidene-butanoic acid; trihydroxide Openeye Name: aluminum; 3-(dimethylamino)benzoic acid; 4-(dodecylamino)-4-oxo-butanoic acid; trihydroxide CAS Name: aluminum; 3-(dimethylamino)benzoic acid; 4-(dodecylamino)-4-oxobutanoic acid; trihydroxide IUPAC Name: aluminum; 3-(dimethylamino)benzoic acid; 4-(dodecylamino)-4-oxobutanoic acid; trihydroxide Traditional Name: aluminum; 3-(dimethylamino)benzoic acid; 4-keto-4-(laurylamino)butyric acid; trihydroxide Formula: C25H45AlN2O8 MolecularWeight: 528.614938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)CCC(=O)O.CN(C)C1=CC=CC(=C1)C(=O)O.[OH-].[OH-].[OH-].[Al+3]

Isomeric SMILES

CCCCCCCCCCCCNC(=O)CCC(=O)O.CN(C)C1=CC=CC(=C1)C(=O)O.[OH-].[OH-].[OH-].[Al+3]

InChI

InChI=1S/C16H31NO3.C9H11NO2.Al.3H2O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15(18)12-13-16(19)20;1-10(2)8-5-3-4-7(6-8)9(11)12;;;;/h2-14H2,1H3,(H,17,18)(H,19,20);3-6H,1-2H3,(H,11,12);;3*1H2/q;;+3;;;/p-3