(5-methyl-2-phenyl-pyrazol-3-yl) 4-ethoxybenzenesulfonate

Systemtic Name: (5-methyl-2-phenyl-pyrazol-3-yl) 4-ethoxybenzenesulfonate Openeye Name: (5-methyl-2-phenyl-pyrazol-3-yl) 4-ethoxybenzenesulfonate CAS Name: 4-ethoxybenzenesulfonic acid (5-methyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-methyl-2-phenylpyrazol-3-yl) 4-ethoxybenzenesulfonate Traditional Name: 4-ethoxybenzenesulfonic acid (5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C18H18N2O4S/c1-3-23-16-9-11-17(12-10-16)25(21,22)24-18-13-14(2)19-20(18)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3