3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; tributyl(methyl)azanium

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; tributyl(methyl)azanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; tributyl(methyl)ammonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; tributyl(methyl)ammonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; tributyl(methyl)azanium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; tributyl(methyl)ammonium Formula: C27H51NO4S MolecularWeight: 485.76314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(CCCC)CCCC.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+](C)(CCCC)CCCC.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-]

InChI

InChI=1S/C14H22O4S.C13H30N/c1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6;1-5-8-11-14(4,12-9-6-2)13-10-7-3/h7-8,15H,1-6H3,(H,16,17,18);5-13H2,1-4H3/q;+1/p-1