aluminum 2-[(2,3-dimethylphenyl)amino]benzoate

Systemtic Name: aluminum 2-[(2,3-dimethylphenyl)amino]benzoate Openeye Name: aluminum 2-(2,3-dimethylanilino)benzoate CAS Name: aluminum 2-(2,3-dimethylanilino)benzoate IUPAC Name: aluminum 2-(2,3-dimethylanilino)benzoate Traditional Name: aluminum 2-(2,3-dimethylanilino)benzoate Formula: C45H42AlN3O6 MolecularWeight: 747.813018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)[O-])C.CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)[O-])C.CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)[O-])C.[Al+3]

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)[O-])C.CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)[O-])C.CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)[O-])C.[Al+3]

InChI

InChI=1S/3C15H15NO2.Al/c3*1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18;/h3*3-9,16H,1-2H3,(H,17,18);/q;;;+3/p-3