3-(2,5-diphenyl-1,3-oxazol-3-ium-3-yl)propane-1-sulfonate

Systemtic Name: 3-(2,5-diphenyl-1,3-oxazol-3-ium-3-yl)propane-1-sulfonate Openeye Name: 3-(2,5-diphenyloxazol-3-ium-3-yl)propane-1-sulfonate CAS Name: 3-(2,5-diphenyl-3-oxazol-3-iumyl)-1-propanesulfonate IUPAC Name: 3-(2,5-diphenyl-1,3-oxazol-3-ium-3-yl)propane-1-sulfonate Traditional Name: 3-(2,5-diphenyloxazol-3-ium-3-yl)propane-1-sulfonate Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C[N+](=C(O2)C3=CC=CC=C3)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C[N+](=C(O2)C3=CC=CC=C3)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C18H17NO4S/c20-24(21,22)13-7-12-19-14-17(15-8-3-1-4-9-15)23-18(19)16-10-5-2-6-11-16/h1-6,8-11,14H,7,12-13H2