5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonate

Systemtic Name: 5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonate Openeye Name: 5-chloro-1,3-dimethyl-pyrazole-4-sulfonate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolesulfonate IUPAC Name: 5-chloro-1,3-dimethylpyrazole-4-sulfonate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-sulfonate Formula: C5H6ClN2O3S- MolecularWeight: 209.63074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)[O-])Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)[O-])Cl)C

InChI

InChI=1S/C5H7ClN2O3S/c1-3-4(12(9,10)11)5(6)8(2)7-3/h1-2H3,(H,9,10,11)/p-1