2,6-ditert-butyl-4-methyl-phenolate; dioctylalumanylium

Systemtic Name: 2,6-ditert-butyl-4-methyl-phenolate; dioctylalumanylium Openeye Name: 2,6-ditert-butyl-4-methyl-phenolate; dioctylalumanylium CAS Name: 2,6-ditert-butyl-4-methylphenolate; dioctylalumanylium IUPAC Name: 2,6-ditert-butyl-4-methylphenolate; dioctylalumanylium Traditional Name: 2,6-ditert-butyl-4-methyl-phenolate; dioctylalumanylium Formula: C31H57AlO MolecularWeight: 472.765218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24O.2C8H17.Al/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;2*1-3-5-7-8-6-4-2;/h8-9,16H,1-7H3;2*1,3-8H2,2H3;/q;;;+1/p-1