2-(4-oxidanyl-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanesulfonic acid

Systemtic Name: 2-(4-oxidanyl-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanesulfonic acid Openeye Name: 2-(4-hydroxy-5-oxo-1-phenyl-4H-pyrazol-3-yl)ethanesulfonic acid CAS Name: 2-(4-hydroxy-5-oxo-1-phenyl-4H-pyrazol-3-yl)ethanesulfonic acid IUPAC Name: 2-(4-hydroxy-5-oxo-1-phenyl-4H-pyrazol-3-yl)ethanesulfonic acid Traditional Name: 2-(4-hydroxy-5-keto-1-phenyl-2-pyrazolin-3-yl)ethanesulfonic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(C(=N2)CCS(=O)(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(C(=N2)CCS(=O)(=O)O)O

InChI

InChI=1S/C11H12N2O5S/c14-10-9(6-7-19(16,17)18)12-13(11(10)15)8-4-2-1-3-5-8/h1-5,10,14H,6-7H2,(H,16,17,18)