[2-[bis(3,5-dimethylpyrazol-1-yl)methyl]-4,6-ditert-butyl-phenoxy]-methyl-alumanylium

Systemtic Name: [2-[bis(3,5-dimethylpyrazol-1-yl)methyl]-4,6-ditert-butyl-phenoxy]-methyl-alumanylium Openeye Name: [2-[bis(3,5-dimethylpyrazol-1-yl)methyl]-4,6-ditert-butyl-phenoxy]-methyl-alumanylium CAS Name: [2-[bis(3,5-dimethyl-1-pyrazolyl)methyl]-4,6-ditert-butylphenoxy]-methylalumanylium IUPAC Name: [2-[bis(3,5-dimethylpyrazol-1-yl)methyl]-4,6-ditert-butylphenoxy]-methylalumanylium Traditional Name: [2-[bis(3,5-dimethylpyrazol-1-yl)methyl]-4,6-ditert-butyl-phenoxy]-methyl-alumanylium Formula: C26H38AlN4O+ MolecularWeight: 449.587658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O[Al+]C)N3C(=CC(=N3)C)C)C

Isomeric SMILES

CC1=CC(=NN1C(C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O[Al+]C)N3C(=CC(=N3)C)C)C

InChI

InChI=1S/C25H36N4O.CH3.Al/c1-15-11-17(3)28(26-15)23(29-18(4)12-16(2)27-29)20-13-19(24(5,6)7)14-21(22(20)30)25(8,9)10;;/h11-14,23,30H,1-10H3;1H3;/q;;+2/p-1