3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; (4-ethenylphenyl)methyl-trimethyl-azanium

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; (4-ethenylphenyl)methyl-trimethyl-azanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; trimethyl-[(4-vinylphenyl)methyl]ammonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; (4-ethenylphenyl)methyl-trimethylammonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; (4-ethenylphenyl)methyl-trimethylazanium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; trimethyl-(4-vinylbenzyl)ammonium Formula: C26H39NO4S MolecularWeight: 461.65716

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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+](C)(C)CC1=CC=C(C=C1)C=C

Isomeric SMILES

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

InChI

InChI=1S/C14H22O4S.C12H18N/c1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6;1-5-11-6-8-12(9-7-11)10-13(2,3)4/h7-8,15H,1-6H3,(H,16,17,18);5-9H,1,10H2,2-4H3/q;+1/p-1