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

Systemtic Name: 2,6-ditert-butyl-4-methyl-phenolate; tetrabutylazanium Openeye Name: 2,6-ditert-butyl-4-methyl-phenolate; tetrabutylammonium CAS Name: 2,6-ditert-butyl-4-methylphenolate; tetrabutylammonium IUPAC Name: 2,6-ditert-butyl-4-methylphenolate; tetrabutylazanium Traditional Name: 2,6-ditert-butyl-4-methyl-phenolate; tetrabutylammonium Formula: C31H59NO MolecularWeight: 461.80626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36N.C15H24O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h5-16H2,1-4H3;8-9,16H,1-7H3/q+1;/p-1