2-ethyl-4,5-dihydro-1,3-oxazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 2-ethyl-4,5-dihydro-1,3-oxazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 2-ethyl-4,5-dihydrooxazol-3-ium; 4-methylbenzenesulfonate CAS Name: 2-ethyl-4,5-dihydrooxazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 2-ethyl-4,5-dihydro-1,3-oxazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 2-ethyl-2-oxazolin-3-ium tosylate Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[NH+]CCO1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=[NH+]CCO1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H8O3S.C5H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-5-6-3-4-7-5/h2-5H,1H3,(H,8,9,10);2-4H2,1H3