3-(2-phenyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)propane-1-sulfonate

Systemtic Name: 3-(2-phenyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)propane-1-sulfonate Openeye Name: 3-(2-phenyl-4,5-dihydrooxazol-3-ium-3-yl)propane-1-sulfonate CAS Name: 3-(2-phenyl-4,5-dihydrooxazol-3-ium-3-yl)-1-propanesulfonate IUPAC Name: 3-(2-phenyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)propane-1-sulfonate Traditional Name: 3-(2-phenyl-2-oxazolin-3-ium-3-yl)propane-1-sulfonate Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=[N+]1CCCS(=O)(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C1COC(=[N+]1CCCS(=O)(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C12H15NO4S/c14-18(15,16)10-4-7-13-8-9-17-12(13)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2