sodium 5-oxidanylidene-4-(3-oxidanylidenebutyl)-1,2-diphenyl-pyrazol-3-olate

Systemtic Name: sodium 5-oxidanylidene-4-(3-oxidanylidenebutyl)-1,2-diphenyl-pyrazol-3-olate Openeye Name: sodium 5-oxo-4-(3-oxobutyl)-1,2-diphenyl-pyrazol-3-olate CAS Name: sodium 5-oxo-4-(3-oxobutyl)-1,2-diphenyl-3-pyrazololate IUPAC Name: sodium 5-oxo-4-(3-oxobutyl)-1,2-diphenylpyrazol-3-olate Traditional Name: sodium 5-keto-4-(3-ketobutyl)-1,2-diphenyl-3-pyrazolin-3-olate Formula: C19H17N2NaO3 MolecularWeight: 344.33965

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].[Na+]

Isomeric SMILES

CC(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].[Na+]

InChI

InChI=1S/C19H18N2O3.Na/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16;/h2-11,23H,12-13H2,1H3;/q;+1/p-1