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: C46H82Al2O2 MolecularWeight: 721.105156

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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.CC(C)C[Al+]CC(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.CC(C)C[Al+]CC(C)C.CC(C)C[Al+]CC(C)C

InChI

InChI=1S/2C15H24O.4C4H9.2Al/c2*1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;4*1-4(2)3;;/h2*8-9,16H,1-7H3;4*4H,1H2,2-3H3;;/q;;;;;;2*+1/p-2