3-[[3-(2-ethylhexoxy)-2-oxidanyl-propyl]-dimethyl-azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[[3-(2-ethylhexoxy)-2-oxidanyl-propyl]-dimethyl-azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[[3-(2-ethylhexoxy)-2-hydroxy-propyl]-dimethyl-ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[[3-(2-ethylhexoxy)-2-hydroxypropyl]-dimethylammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[[3-(2-ethylhexoxy)-2-hydroxypropyl]-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 3-[[3-(2-ethylhexoxy)-2-hydroxy-propyl]-dimethyl-ammonio]-2-hydroxy-propane-1-sulfonate Formula: C16H35NO6S MolecularWeight: 369.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COCC(C[N+](C)(C)CC(CS(=O)(=O)[O-])O)O

Isomeric SMILES

CCCCC(CC)COCC(C[N+](C)(C)CC(CS(=O)(=O)[O-])O)O

InChI

InChI=1S/C16H35NO6S/c1-5-7-8-14(6-2)11-23-12-15(18)9-17(3,4)10-16(19)13-24(20,21)22/h14-16,18-19H,5-13H2,1-4H3