4-oxidanidylbenzenesulfonate; tetrahexadecylazanium; tetramethylazanium

Systemtic Name: 4-oxidanidylbenzenesulfonate; tetrahexadecylazanium; tetramethylazanium Openeye Name: 4-oxidobenzenesulfonate; tetrahexadecylammonium; tetramethylammonium CAS Name: 4-oxidobenzenesulfonate; tetrahexadecylammonium; tetramethylammonium IUPAC Name: 4-oxidobenzenesulfonate; tetrahexadecylazanium; tetramethylazanium Traditional Name: 4-oxidobesylate; tetracetylammonium; tetramethylammonium Formula: C74H148N2O4S MolecularWeight: 1162.04292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C64H132N.C6H6O4S.C4H12N/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65(62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;7-5-1-3-6(4-2-5)11(8,9)10;1-5(2,3)4/h5-64H2,1-4H3;1-4,7H,(H,8,9,10);1-4H3/q+1;;+1/p-2