bis(2-methylpropyl)alumanylium; 2,6-ditert-butyl-4-methyl-phenolate

Systemtic Name: bis(2-methylpropyl)alumanylium; 2,6-ditert-butyl-4-methyl-phenolate Openeye Name: 2,6-ditert-butyl-4-methyl-phenolate; diisobutylalumanylium CAS Name: bis(2-methylpropyl)alumanylium; 2,6-ditert-butyl-4-methylphenolate IUPAC Name: bis(2-methylpropyl)alumanylium; 2,6-ditert-butyl-4-methylphenolate Traditional Name: 2,6-ditert-butyl-4-methyl-phenolate; diisobutylalumanylium Formula: C53H87AlO3-2 MolecularWeight: 799.237618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)[O-])C(C)(C)C.CC1=CC(=C(C(=C1)C(C)(C)C)[O-])C(C)(C)C.CC1=CC(=C(C(=C1)C(C)(C)C)[O-])C(C)(C)C.CC(C)C[Al+]CC(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)[O-])C(C)(C)C.CC1=CC(=C(C(=C1)C(C)(C)C)[O-])C(C)(C)C.CC1=CC(=C(C(=C1)C(C)(C)C)[O-])C(C)(C)C.CC(C)C[Al+]CC(C)C

InChI

InChI=1S/3C15H24O.2C4H9.Al/c3*1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;2*1-4(2)3;/h3*8-9,16H,1-7H3;2*4H,1H2,2-3H3;/q;;;;;+1/p-3