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

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxypropyl-trimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxypropyl-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]propyl-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxybenzoyl)oxypropyl-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxypropyl-trimethyl-ammonium tosylate Formula: C28H43NO6S MolecularWeight: 521.70912

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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)OCCC[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)OCCC[N+](C)(C)C

InChI

InChI=1S/C21H35NO3.C7H8O3S/c1-20(2,3)16-13-15(14-17(18(16)23)21(4,5)6)19(24)25-12-10-11-22(7,8)9;1-6-2-4-7(5-3-6)11(8,9)10/h13-14H,10-12H2,1-9H3;2-5H,1H3,(H,8,9,10)