aluminum 2-(11-oxidanylidene-5,6-dihydrobenzo[c][1]benzazepin-2-yl)ethanoate

Systemtic Name: aluminum 2-(11-oxidanylidene-5,6-dihydrobenzo[c][1]benzazepin-2-yl)ethanoate Openeye Name: aluminum 2-(11-oxo-5,6-dihydrobenzo[c][1]benzazepin-2-yl)acetate CAS Name: aluminum 2-(11-oxo-5,6-dihydrobenzo[c][1]benzazepin-2-yl)acetate IUPAC Name: aluminum 2-(11-oxo-5,6-dihydrobenzo[c][1]benzazepin-2-yl)acetate Traditional Name: aluminum 2-(11-keto-5,6-dihydrobenzo[c][1]benzazepin-2-yl)acetate Formula: C48H36AlN3O9 MolecularWeight: 825.795678

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C3=C(N1)C=CC(=C3)CC(=O)[O-].C1C2=CC=CC=C2C(=O)C3=C(N1)C=CC(=C3)CC(=O)[O-].C1C2=CC=CC=C2C(=O)C3=C(N1)C=CC(=C3)CC(=O)[O-].[Al+3]

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3=C(N1)C=CC(=C3)CC(=O)[O-].C1C2=CC=CC=C2C(=O)C3=C(N1)C=CC(=C3)CC(=O)[O-].C1C2=CC=CC=C2C(=O)C3=C(N1)C=CC(=C3)CC(=O)[O-].[Al+3]

InChI

InChI=1S/3C16H13NO3.Al/c3*18-15(19)8-10-5-6-14-13(7-10)16(20)12-4-2-1-3-11(12)9-17-14;/h3*1-7,17H,8-9H2,(H,18,19);/q;;;+3/p-3