(3-methyl-1-phenyl-pyrazol-4-yl) 4-chloranylbenzenesulfonate

Systemtic Name: (3-methyl-1-phenyl-pyrazol-4-yl) 4-chloranylbenzenesulfonate Openeye Name: (3-methyl-1-phenyl-pyrazol-4-yl) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid (3-methyl-1-phenyl-4-pyrazolyl) ester IUPAC Name: (3-methyl-1-phenylpyrazol-4-yl) 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (3-methyl-1-phenyl-pyrazol-4-yl) ester Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H13ClN2O3S/c1-12-16(11-19(18-12)14-5-3-2-4-6-14)22-23(20,21)15-9-7-13(17)8-10-15/h2-11H,1H3