2-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxyethyl-dimethyl-(phenylmethyl)azanium; 3-nitrobenzenesulfonate

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxyethyl-dimethyl-(phenylmethyl)azanium; 3-nitrobenzenesulfonate Openeye Name: benzyl-[2-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxyethyl]-dimethyl-ammonium; 3-nitrobenzenesulfonate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]ethyl-dimethyl-(phenylmethyl)ammonium; 3-nitrobenzenesulfonate IUPAC Name: benzyl-[2-(3,5-ditert-butyl-4-hydroxybenzoyl)oxyethyl]-dimethylazanium; 3-nitrobenzenesulfonate Traditional Name: benzyl-[2-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxyethyl]-dimethyl-ammonium; 3-nitrobesylate Formula: C32H42N2O8S MolecularWeight: 614.74948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCC[N+](C)(C)CC2=CC=CC=C2.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCC[N+](C)(C)CC2=CC=CC=C2.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H37NO3.C6H5NO5S/c1-25(2,3)21-16-20(17-22(23(21)28)26(4,5)6)24(29)30-15-14-27(7,8)18-19-12-10-9-11-13-19;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h9-13,16-17H,14-15,18H2,1-8H3;1-4H,(H,10,11,12)