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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxypropyl-trimethyl-azanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; 3-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxypropyl-trimethyl-ammonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; 3-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]propyl-trimethylammonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; 3-(3,5-ditert-butyl-4-hydroxybenzoyl)oxypropyl-trimethylazanium Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxypropyl-trimethyl-ammonium; 3,5-ditert-butyl-4-hydroxy-besylate Formula: C35H57NO7S MolecularWeight: 635.89458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO3.C14H22O4S/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;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h13-14H,10-12H2,1-9H3;7-8,15H,1-6H3,(H,16,17,18)