sodium 1-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)propan-1-one

Systemtic Name: sodium 1-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)propan-1-one Openeye Name: sodium 1-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)propan-1-one CAS Name: sodium 1-(1,3-dimethyl-5-phenoxy-4-pyrazolyl)-1-propanone IUPAC Name: sodium 1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)propan-1-one Traditional Name: sodium 1-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)propan-1-one Formula: C14H16N2NaO2+ MolecularWeight: 267.27881

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(N(N=C1C)C)OC2=CC=CC=C2.[Na+]

Isomeric SMILES

CCC(=O)C1=C(N(N=C1C)C)OC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C14H16N2O2.Na/c1-4-12(17)13-10(2)15-16(3)14(13)18-11-8-6-5-7-9-11;/h5-9H,4H2,1-3H3;/q;+1