2-[(4-chloranylpyrazol-1-yl)methylsulfonyl]ethanoate

Systemtic Name: 2-[(4-chloranylpyrazol-1-yl)methylsulfonyl]ethanoate Openeye Name: 2-[(4-chloropyrazol-1-yl)methylsulfonyl]acetate CAS Name: 2-[(4-chloro-1-pyrazolyl)methylsulfonyl]acetate IUPAC Name: 2-[(4-chloropyrazol-1-yl)methylsulfonyl]acetate Traditional Name: 2-[(4-chloropyrazol-1-yl)methylsulfonyl]acetate Formula: C6H6ClN2O4S- MolecularWeight: 237.64084

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CS(=O)(=O)CC(=O)[O-])Cl

Isomeric SMILES

C1=C(C=NN1CS(=O)(=O)CC(=O)[O-])Cl

InChI

InChI=1S/C6H7ClN2O4S/c7-5-1-8-9(2-5)4-14(12,13)3-6(10)11/h1-2H,3-4H2,(H,10,11)/p-1