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

Systemtic Name: (2,4-dimethylphenyl) 5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonate Openeye Name: (2,4-dimethylphenyl) 5-chloro-1,3-dimethyl-pyrazole-4-sulfonate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolesulfonic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-sulfonic acid (2,4-dimethylphenyl) ester Formula: C13H15ClN2O3S MolecularWeight: 314.7878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(N(N=C2C)C)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(N(N=C2C)C)Cl)C

InChI

InChI=1S/C13H15ClN2O3S/c1-8-5-6-11(9(2)7-8)19-20(17,18)12-10(3)15-16(4)13(12)14/h5-7H,1-4H3