3-[2-(3,3-dimethylbutanoyloxy)ethyl-dimethyl-azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[2-(3,3-dimethylbutanoyloxy)ethyl-dimethyl-azaniumyl]propane-1-sulfonate Openeye Name: 3-[2-(3,3-dimethylbutanoyloxy)ethyl-dimethyl-ammonio]propane-1-sulfonate CAS Name: 3-[2-(3,3-dimethyl-1-oxobutoxy)ethyl-dimethylammonio]-1-propanesulfonate IUPAC Name: 3-[2-(3,3-dimethylbutanoyloxy)ethyl-dimethylazaniumyl]propane-1-sulfonate Traditional Name: 3-[2-(3,3-dimethylbutanoyloxy)ethyl-dimethyl-ammonio]propane-1-sulfonate Formula: C13H27NO5S MolecularWeight: 309.42218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC[N+](C)(C)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)CC(=O)OCC[N+](C)(C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C13H27NO5S/c1-13(2,3)11-12(15)19-9-8-14(4,5)7-6-10-20(16,17)18/h6-11H2,1-5H3