dialuminum 2-[[bis[(3,5-dimethyl-2-oxidanidyl-phenyl)methyl]amino]methyl]-4,6-dimethyl-phenolate

Systemtic Name: dialuminum 2-[[bis[(3,5-dimethyl-2-oxidanidyl-phenyl)methyl]amino]methyl]-4,6-dimethyl-phenolate Openeye Name: dialuminum 2-[[bis[(3,5-dimethyl-2-oxido-phenyl)methyl]amino]methyl]-4,6-dimethyl-phenolate CAS Name: dialuminum 2-[[bis[(3,5-dimethyl-2-oxidophenyl)methyl]amino]methyl]-4,6-dimethylphenolate IUPAC Name: dialuminum 2-[[bis[(3,5-dimethyl-2-oxidophenyl)methyl]amino]methyl]-4,6-dimethylphenolate Traditional Name: dialuminum 2-[[bis(3,5-dimethyl-2-oxido-benzyl)amino]methyl]-4,6-dimethyl-phenolate Formula: C54H60Al2N2O6 MolecularWeight: 887.027076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CN(CC2=CC(=CC(=C2[O-])C)C)CC3=CC(=CC(=C3[O-])C)C)[O-])C.CC1=CC(=C(C(=C1)CN(CC2=CC(=CC(=C2[O-])C)C)CC3=CC(=CC(=C3[O-])C)C)[O-])C.[Al+3].[Al+3]

Isomeric SMILES

CC1=CC(=C(C(=C1)CN(CC2=CC(=CC(=C2[O-])C)C)CC3=CC(=CC(=C3[O-])C)C)[O-])C.CC1=CC(=C(C(=C1)CN(CC2=CC(=CC(=C2[O-])C)C)CC3=CC(=CC(=C3[O-])C)C)[O-])C.[Al+3].[Al+3]

InChI

InChI=1S/2C27H33NO3.2Al/c2*1-16-7-19(4)25(29)22(10-16)13-28(14-23-11-17(2)8-20(5)26(23)30)15-24-12-18(3)9-21(6)27(24)31;;/h2*7-12,29-31H,13-15H2,1-6H3;;/q;;2*+3/p-6