2-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]ethanoate

Systemtic Name: 2-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]ethanoate Openeye Name: 2-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]acetate CAS Name: 2-[(2,5-dimethyl-3-pyrazolyl)methylsulfonyl]acetate IUPAC Name: 2-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]acetate Traditional Name: 2-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]acetate Formula: C8H11N2O4S- MolecularWeight: 231.24894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CS(=O)(=O)CC(=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1)CS(=O)(=O)CC(=O)[O-])C

InChI

InChI=1S/C8H12N2O4S/c1-6-3-7(10(2)9-6)4-15(13,14)5-8(11)12/h3H,4-5H2,1-2H3,(H,11,12)/p-1