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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 3,5-ditert-butyl-4-hydroxy-benzenesulfonate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate Traditional Name: benzyl(trimethyl)ammonium; 3,5-ditert-butyl-4-hydroxy-besylate Formula: C24H37NO4S MolecularWeight: 435.61988

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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=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C14H22O4S.C10H16N/c1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6;1-11(2,3)9-10-7-5-4-6-8-10/h7-8,15H,1-6H3,(H,16,17,18);4-8H,9H2,1-3H3/q;+1/p-1