2,6-ditert-butylphenolate; diphenoxyalumanylium

Systemtic Name: 2,6-ditert-butylphenolate; diphenoxyalumanylium Openeye Name: 2,6-ditert-butylphenolate; diphenoxyalumanylium CAS Name: 2,6-ditert-butylphenolate; diphenoxyalumanylium IUPAC Name: 2,6-ditert-butylphenolate; diphenoxyalumanylium Traditional Name: 2,6-ditert-butylphenolate; diphenoxyalumanylium Formula: C26H31AlO3 MolecularWeight: 418.504078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)[O-].C1=CC=C(C=C1)O[Al+]OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)[O-].C1=CC=C(C=C1)O[Al+]OC2=CC=CC=C2

InChI

InChI=1S/C14H22O.2C6H6O.Al/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;2*7-6-4-2-1-3-5-6;/h7-9,15H,1-6H3;2*1-5,7H;/q;;;+3/p-3