[2-(4-chloranylsulfonylphenyl)-5-methyl-pyrazol-3-yl] hydrogen sulfate

Systemtic Name: [2-(4-chloranylsulfonylphenyl)-5-methyl-pyrazol-3-yl] hydrogen sulfate Openeye Name: [2-(4-chlorosulfonylphenyl)-5-methyl-pyrazol-3-yl] hydrogen sulfate CAS Name: sulfuric acid [2-(4-chlorosulfonylphenyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(4-chlorosulfonylphenyl)-5-methylpyrazol-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(4-chlorosulfonylphenyl)-5-methyl-pyrazol-3-yl] ester Formula: C10H9ClN2O6S2 MolecularWeight: 352.77126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OS(=O)(=O)O)C2=CC=C(C=C2)S(=O)(=O)Cl

Isomeric SMILES

CC1=NN(C(=C1)OS(=O)(=O)O)C2=CC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C10H9ClN2O6S2/c1-7-6-10(19-21(16,17)18)13(12-7)8-2-4-9(5-3-8)20(11,14)15/h2-6H,1H3,(H,16,17,18)