sodium (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-oxidanyl-methanesulfonate

Systemtic Name: sodium (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-oxidanyl-methanesulfonate Openeye Name: sodium (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-hydroxy-methanesulfonate CAS Name: sodium (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-hydroxymethanesulfonate IUPAC Name: sodium (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-hydroxymethanesulfonate Traditional Name: sodium hydroxy-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methanesulfonate Formula: C12H13N2NaO5S MolecularWeight: 320.29679

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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-].[Na+]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H14N2O5S.Na/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);/q;+1/p-1