sodium 4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-olate

Systemtic Name: sodium 4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-olate Openeye Name: sodium 4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-olate CAS Name: sodium 4-butyl-5-oxo-1,2-diphenyl-3-pyrazololate IUPAC Name: sodium 4-butyl-5-oxo-1,2-diphenylpyrazol-3-olate Traditional Name: sodium 4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-olate Formula: C19H19N2NaO2 MolecularWeight: 330.35613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].[Na+]

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].[Na+]

InChI

InChI=1S/C19H20N2O2.Na/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;/h4-13,22H,2-3,14H2,1H3;/q;+1/p-1