2-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methylsulfonyl]ethanoate

Systemtic Name: 2-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methylsulfonyl]ethanoate Openeye Name: 2-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methylsulfonyl]acetate CAS Name: 2-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methylsulfonyl]acetate IUPAC Name: 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methylsulfonyl]acetate Traditional Name: 2-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methylsulfonyl]acetate Formula: C8H10ClN2O4S- MolecularWeight: 265.694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CS(=O)(=O)CC(=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=NN1CS(=O)(=O)CC(=O)[O-])C)Cl

InChI

InChI=1S/C8H11ClN2O4S/c1-5-8(9)6(2)11(10-5)4-16(14,15)3-7(12)13/h3-4H2,1-2H3,(H,12,13)/p-1