(3-ethoxy-5-methyl-phenyl) 5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonate

Systemtic Name: (3-ethoxy-5-methyl-phenyl) 5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonate Openeye Name: (3-ethoxy-5-methyl-phenyl) 5-chloro-1,3-dimethyl-pyrazole-4-sulfonate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolesulfonic acid (3-ethoxy-5-methylphenyl) ester IUPAC Name: (3-ethoxy-5-methylphenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-sulfonic acid (3-ethoxy-5-methyl-phenyl) ester Formula: C14H17ClN2O4S MolecularWeight: 344.81378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=C(N(N=C2C)C)Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=C(N(N=C2C)C)Cl

InChI

InChI=1S/C14H17ClN2O4S/c1-5-20-11-6-9(2)7-12(8-11)21-22(18,19)13-10(3)16-17(4)14(13)15/h6-8H,5H2,1-4H3