5-(4-ethyl-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-2-phenoxy-benzenesulfonate

Systemtic Name: 5-(4-ethyl-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-2-phenoxy-benzenesulfonate Openeye Name: 5-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-2-phenoxy-benzenesulfonate CAS Name: 5-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-2-phenoxybenzenesulfonate IUPAC Name: 5-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-2-phenoxybenzenesulfonate Traditional Name: 5-(4-ethyl-5-keto-3-methyl-3-pyrazolin-1-yl)-2-phenoxy-besylate Formula: C18H17N2O5S- MolecularWeight: 373.40298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN(C1=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)[O-])C

Isomeric SMILES

CCC1=C(NN(C1=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)[O-])C

InChI

InChI=1S/C18H18N2O5S/c1-3-15-12(2)19-20(18(15)21)13-9-10-16(17(11-13)26(22,23)24)25-14-7-5-4-6-8-14/h4-11,19H,3H2,1-2H3,(H,22,23,24)/p-1