hexalithium; 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-oxidanidyl-phenyl)ethyl]phenolate; phenylmethanolate

Systemtic Name: hexalithium; 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-oxidanidyl-phenyl)ethyl]phenolate; phenylmethanolate Openeye Name: hexalithium; 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-oxido-phenyl)ethyl]phenolate; phenylmethanolate CAS Name: hexalithium; 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-oxidophenyl)ethyl]phenolate; phenylmethanolate IUPAC Name: hexalithium; 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-oxidophenyl)ethyl]phenolate; phenylmethanolate Traditional Name: hexalithium; 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-oxido-phenyl)ethyl]phenolate; phenylmethanolate Formula: C74H102Li6O6 MolecularWeight: 1129.24408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C30H46O2.2C7H7O.6Li/c2*1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13;2*8-6-7-4-2-1-3-5-7;;;;;;/h2*14-18,31-32H,1-13H3;2*1-5H,6H2;;;;;;/q;;2*-1;6*+1/p-4