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

Systemtic Name: aluminum; 2-acetyloxybenzoate; 2-[(2,3-dimethylphenyl)amino]benzoate Openeye Name: aluminum; 2-acetoxybenzoate; 2-(2,3-dimethylanilino)benzoate CAS Name: aluminum; 2-acetyloxybenzoate; 2-(2,3-dimethylanilino)benzoate IUPAC Name: aluminum; 2-acetyloxybenzoate; 2-(2,3-dimethylanilino)benzoate Traditional Name: aluminum; 2-acetoxybenzoate; 2-(2,3-dimethylanilino)benzoate Formula: C39H35AlN2O8 MolecularWeight: 686.685338

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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.CC(=O)OC1=CC=CC=C1C(=O)[O-].[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.CC(=O)OC1=CC=CC=C1C(=O)[O-].[Al+3]

InChI

InChI=1S/2C15H15NO2.C9H8O4.Al/c2*1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18;1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2*3-9,16H,1-2H3,(H,17,18);2-5H,1H3,(H,11,12);/q;;;+3/p-3