aluminum 3-azanyl-2,5-bis(chloranyl)benzoate

Systemtic Name: aluminum 3-azanyl-2,5-bis(chloranyl)benzoate Openeye Name: aluminum 3-amino-2,5-dichloro-benzoate CAS Name: aluminum 3-amino-2,5-dichlorobenzoate IUPAC Name: aluminum 3-amino-2,5-dichlorobenzoate Traditional Name: aluminum 3-amino-2,5-dichloro-benzoate Formula: C21H12AlCl6N3O6 MolecularWeight: 642.036018

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1N)Cl)C(=O)[O-])Cl.C1=C(C=C(C(=C1N)Cl)C(=O)[O-])Cl.C1=C(C=C(C(=C1N)Cl)C(=O)[O-])Cl.[Al+3]

Isomeric SMILES

C1=C(C=C(C(=C1N)Cl)C(=O)[O-])Cl.C1=C(C=C(C(=C1N)Cl)C(=O)[O-])Cl.C1=C(C=C(C(=C1N)Cl)C(=O)[O-])Cl.[Al+3]

InChI

InChI=1S/3C7H5Cl2NO2.Al/c3*8-3-1-4(7(11)12)6(9)5(10)2-3;/h3*1-2H,10H2,(H,11,12);/q;;;+3/p-3