aluminum 2-(octadecylcarbamoyl)benzoate

Systemtic Name: aluminum 2-(octadecylcarbamoyl)benzoate Openeye Name: aluminum 2-(octadecylcarbamoyl)benzoate CAS Name: aluminum 2-[(octadecylamino)-oxomethyl]benzoate IUPAC Name: aluminum 2-(octadecylcarbamoyl)benzoate Traditional Name: aluminum 2-(stearylcarbamoyl)benzoate Formula: C78H126AlN3O9 MolecularWeight: 1276.831278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1C(=O)[O-].CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1C(=O)[O-].CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1C(=O)[O-].[Al+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1C(=O)[O-].CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1C(=O)[O-].CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1C(=O)[O-].[Al+3]

InChI

InChI=1S/3C26H43NO3.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-25(28)23-20-17-18-21-24(23)26(29)30;/h3*17-18,20-21H,2-16,19,22H2,1H3,(H,27,28)(H,29,30);/q;;;+3/p-3