3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; 1-methylpyridin-1-ium

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; 1-methylpyridin-1-ium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; 1-methylpyridin-1-ium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; 1-methylpyridin-1-ium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; 1-methylpyridin-1-ium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; 1-methylpyridin-1-ium Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-].C[N+]1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-].C[N+]1=CC=CC=C1

InChI

InChI=1S/C14H22O4S.C6H8N/c1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6;1-7-5-3-2-4-6-7/h7-8,15H,1-6H3,(H,16,17,18);2-6H,1H3/q;+1/p-1