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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; dimethyl-octadecyl-(phenylmethyl)azanium Openeye Name: benzyl-dimethyl-octadecyl-ammonium; 3,5-ditert-butyl-4-hydroxy-benzenesulfonate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; dimethyl-octadecyl-(phenylmethyl)ammonium IUPAC Name: benzyl-dimethyl-octadecylazanium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate Traditional Name: benzyl-dimethyl-stearyl-ammonium; 3,5-ditert-butyl-4-hydroxy-besylate Formula: C41H71NO4S MolecularWeight: 674.07174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50N.C14H22O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h19-21,23-24H,4-18,22,25-26H2,1-3H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1