2-(4,5-dimethyl-1,2-oxazol-3-yl)ethanesulfonate

Systemtic Name: 2-(4,5-dimethyl-1,2-oxazol-3-yl)ethanesulfonate Openeye Name: 2-(4,5-dimethylisoxazol-3-yl)ethanesulfonate CAS Name: 2-(4,5-dimethyl-3-isoxazolyl)ethanesulfonate IUPAC Name: 2-(4,5-dimethyl-1,2-oxazol-3-yl)ethanesulfonate Traditional Name: 2-(4,5-dimethylisoxazol-3-yl)ethanesulfonate Formula: C7H10NO4S- MolecularWeight: 204.2236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1CCS(=O)(=O)[O-])C

Isomeric SMILES

CC1=C(ON=C1CCS(=O)(=O)[O-])C

InChI

InChI=1S/C7H11NO4S/c1-5-6(2)12-8-7(5)3-4-13(9,10)11/h3-4H2,1-2H3,(H,9,10,11)/p-1