(2-methoxyphenyl) 5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonate

Systemtic Name: (2-methoxyphenyl) 5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonate Openeye Name: (2-methoxyphenyl) 5-chloro-1,3-dimethyl-pyrazole-4-sulfonate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolesulfonic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-sulfonic acid (2-methoxyphenyl) ester Formula: C12H13ClN2O4S MolecularWeight: 316.76062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)OC2=CC=CC=C2OC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)OC2=CC=CC=C2OC)Cl)C

InChI

InChI=1S/C12H13ClN2O4S/c1-8-11(12(13)15(2)14-8)20(16,17)19-10-7-5-4-6-9(10)18-3/h4-7H,1-3H3