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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxyethyl-trimethyl-azanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; 2-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxyethyl-trimethyl-ammonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; 2-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]ethyl-trimethylammonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; 2-(3,5-ditert-butyl-4-hydroxybenzoyl)oxyethyl-trimethylazanium Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxyethyl-trimethyl-ammonium; 3,5-ditert-butyl-4-hydroxy-besylate Formula: C34H55NO7S MolecularWeight: 621.868

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H33NO3.C14H22O4S/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;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h12-13H,10-11H2,1-9H3;7-8,15H,1-6H3,(H,16,17,18)