sodium (E)-3-cyano-4-oxidanyl-N-[4-(trifluoromethyl)phenyl]oct-3-en-7-ynamide

Systemtic Name: sodium (E)-3-cyano-4-oxidanyl-N-[4-(trifluoromethyl)phenyl]oct-3-en-7-ynamide Openeye Name: sodium (E)-3-cyano-4-hydroxy-N-[4-(trifluoromethyl)phenyl]oct-3-en-7-ynamide CAS Name: sodium (E)-3-cyano-4-hydroxy-N-[4-(trifluoromethyl)phenyl]oct-3-en-7-ynamide IUPAC Name: sodium (E)-3-cyano-4-hydroxy-N-[4-(trifluoromethyl)phenyl]oct-3-en-7-ynamide Traditional Name: sodium (E)-3-cyano-4-hydroxy-N-[4-(trifluoromethyl)phenyl]oct-3-en-7-ynamide Formula: C16H13F3N2NaO2+ MolecularWeight: 345.2716

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCC(=C(CC(=O)NC1=CC=C(C=C1)C(F)(F)F)C#N)O.[Na+]

Isomeric SMILES

C#CCC/C(=C(/CC(=O)NC1=CC=C(C=C1)C(F)(F)F)\C#N)/O.[Na+]

InChI

InChI=1S/C16H13F3N2O2.Na/c1-2-3-4-14(22)11(10-20)9-15(23)21-13-7-5-12(6-8-13)16(17,18)19;/h1,5-8,22H,3-4,9H2,(H,21,23);/q;+1/b14-11+;