sodium 4-oxidanylidene-5-pentyl-5-phenyl-1,3-oxazol-2-olate

Systemtic Name: sodium 4-oxidanylidene-5-pentyl-5-phenyl-1,3-oxazol-2-olate Openeye Name: sodium 4-oxo-5-pentyl-5-phenyl-oxazol-2-olate CAS Name: sodium 4-oxo-5-pentyl-5-phenyl-2-oxazololate IUPAC Name: sodium 4-oxo-5-pentyl-5-phenyl-1,3-oxazol-2-olate Traditional Name: sodium 5-amyl-4-keto-5-phenyl-2-oxazolin-2-olate Formula: C14H16NNaO3 MolecularWeight: 269.27151

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(=O)N=C(O1)[O-])C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCCCC1(C(=O)N=C(O1)[O-])C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C14H17NO3.Na/c1-2-3-7-10-14(11-8-5-4-6-9-11)12(16)15-13(17)18-14;/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,16,17);/q;+1/p-1