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

Systemtic Name: 4,5-dihydro-1,3-oxazol-3-ium; ethyl 4-methylbenzenesulfonate Openeye Name: 4,5-dihydrooxazol-3-ium; ethyl 4-methylbenzenesulfonate CAS Name: 4,5-dihydrooxazol-3-ium; 4-methylbenzenesulfonic acid ethyl ester IUPAC Name: 4,5-dihydro-1,3-oxazol-3-ium; ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid ethyl ester; 2-oxazolin-3-ium Formula: C12H18NO4S+ MolecularWeight: 272.34062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C1=CC=C(C=C1)C.C1COC=[NH+]1

Isomeric SMILES

CCOS(=O)(=O)C1=CC=C(C=C1)C.C1COC=[NH+]1

InChI

InChI=1S/C9H12O3S.C3H5NO/c1-3-12-13(10,11)9-6-4-8(2)5-7-9;1-2-5-3-4-1/h4-7H,3H2,1-2H3;3H,1-2H2/p+1