sodium 5-(2-methylpropyl)-4-oxidanylidene-5-phenyl-1,3-oxazol-2-olate

Systemtic Name: sodium 5-(2-methylpropyl)-4-oxidanylidene-5-phenyl-1,3-oxazol-2-olate Openeye Name: sodium 5-isobutyl-4-oxo-5-phenyl-oxazol-2-olate CAS Name: sodium 5-(2-methylpropyl)-4-oxo-5-phenyl-2-oxazololate IUPAC Name: sodium 5-(2-methylpropyl)-4-oxo-5-phenyl-1,3-oxazol-2-olate Traditional Name: sodium 5-isobutyl-4-keto-5-phenyl-2-oxazolin-2-olate Formula: C13H14NNaO3 MolecularWeight: 255.24493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C(=O)N=C(O1)[O-])C2=CC=CC=C2.[Na+]

Isomeric SMILES

CC(C)CC1(C(=O)N=C(O1)[O-])C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C13H15NO3.Na/c1-9(2)8-13(10-6-4-3-5-7-10)11(15)14-12(16)17-13;/h3-7,9H,8H2,1-2H3,(H,14,15,16);/q;+1/p-1