4-[(2E)-2-[1-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzenesulfonate

Systemtic Name: 4-[(2E)-2-[1-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzenesulfonate Openeye Name: 4-[(2E)-2-[1-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]benzenesulfonate CAS Name: 4-[(2E)-2-[1-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]benzenesulfonate IUPAC Name: 4-[(2E)-2-[1-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzenesulfonate Traditional Name: 4-[(N'E)-N'-[1-(2-hydroxyethyl)-5-keto-3-(4-methoxyphenyl)-2-pyrazolin-4-ylidene]hydrazino]besylate Formula: C18H17N4O6S- MolecularWeight: 417.41578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=CC=C(C=C3)S(=O)(=O)[O-])CCO

Isomeric SMILES

COC1=CC=C(C=C1)C\2=NN(C(=O)/C2=N/NC3=CC=C(C=C3)S(=O)(=O)[O-])CCO

InChI

InChI=1S/C18H18N4O6S/c1-28-14-6-2-12(3-7-14)16-17(18(24)22(21-16)10-11-23)20-19-13-4-8-15(9-5-13)29(25,26)27/h2-9,19,23H,10-11H2,1H3,(H,25,26,27)/p-1/b20-17+