2-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxyethyl-trimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxyethyl-trimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxyethyl-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]ethyl-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxybenzoyl)oxyethyl-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxyethyl-trimethyl-ammonium tosylate Formula: C27H41NO6S MolecularWeight: 507.68254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCC[N+](C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCC[N+](C)(C)C

InChI

InChI=1S/C20H33NO3.C7H8O3S/c1-19(2,3)15-12-14(13-16(17(15)22)20(4,5)6)18(23)24-11-10-21(7,8)9;1-6-2-4-7(5-3-6)11(8,9)10/h12-13H,10-11H2,1-9H3;2-5H,1H3,(H,8,9,10)