(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-oxidanyl-methanesulfonic acid

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-oxidanyl-methanesulfonic acid Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-hydroxy-methanesulfonic acid CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-hydroxymethanesulfonic acid IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-hydroxymethanesulfonic acid Traditional Name: hydroxy-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methanesulfonic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(O)S(=O)(=O)O

InChI

InChI=1S/C12H14N2O5S/c1-8-10(12(16)20(17,18)19)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7,12,16H,1-2H3,(H,17,18,19)