aluminum 2-[(3-methanoyl-3H-benzo[g][1,2]benzoxazol-2-yl)amino]ethanoate

Systemtic Name: aluminum 2-[(3-methanoyl-3H-benzo[g][1,2]benzoxazol-2-yl)amino]ethanoate Openeye Name: aluminum 2-[(3-formyl-3H-benzo[g][1,2]benzoxazol-2-yl)amino]acetate CAS Name: aluminum 2-[(3-formyl-3H-benzo[g][1,2]benzoxazol-2-yl)amino]acetate IUPAC Name: aluminum 2-[(3-formyl-3H-benzo[g][1,2]benzoxazol-2-yl)amino]acetate Traditional Name: aluminum 2-[(3-formyl-3H-benz[g]indoxazen-2-yl)amino]acetate Formula: C42H33AlN6O12 MolecularWeight: 840.725958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2ON(C3C=O)NCC(=O)[O-].C1=CC=C2C(=C1)C=CC3=C2ON(C3C=O)NCC(=O)[O-].C1=CC=C2C(=C1)C=CC3=C2ON(C3C=O)NCC(=O)[O-].[Al+3]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2ON(C3C=O)NCC(=O)[O-].C1=CC=C2C(=C1)C=CC3=C2ON(C3C=O)NCC(=O)[O-].C1=CC=C2C(=C1)C=CC3=C2ON(C3C=O)NCC(=O)[O-].[Al+3]

InChI

InChI=1S/3C14H12N2O4.Al/c3*17-8-12-11-6-5-9-3-1-2-4-10(9)14(11)20-16(12)15-7-13(18)19;/h3*1-6,8,12,15H,7H2,(H,18,19);/q;;;+3/p-3