aluminum; 4-(dimethylamino)benzoate; 4-(dodecylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: aluminum; 4-(dimethylamino)benzoate; 4-(dodecylamino)-4-oxidanylidene-butanoic acid Openeye Name: aluminum; 4-(dimethylamino)benzoate; 4-(dodecylamino)-4-oxo-butanoic acid CAS Name: aluminum; 4-(dimethylamino)benzoate; 4-(dodecylamino)-4-oxobutanoic acid IUPAC Name: aluminum; 4-(dimethylamino)benzoate; 4-(dodecylamino)-4-oxobutanoic acid Traditional Name: aluminum; 4-(dimethylamino)benzoate; 4-keto-4-(laurylamino)butyric acid Formula: C43H61AlN4O9 MolecularWeight: 804.947378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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