sodium 4-[3-(trifluoromethyl)phenoxy]butyl oxirane-2-carboxylate

Systemtic Name: sodium 4-[3-(trifluoromethyl)phenoxy]butyl oxirane-2-carboxylate Openeye Name: sodium 4-[3-(trifluoromethyl)phenoxy]butyl oxirane-2-carboxylate CAS Name: sodium 2-oxiranecarboxylic acid 4-[3-(trifluoromethyl)phenoxy]butyl ester IUPAC Name: sodium 4-[3-(trifluoromethyl)phenoxy]butyl oxirane-2-carboxylate Traditional Name: sodium oxirane-2-carboxylic acid 4-[3-(trifluoromethyl)phenoxy]butyl ester Formula: C14H15F3NaO4+ MolecularWeight: 327.25148

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)C(=O)OCCCCOC2=CC=CC(=C2)C(F)(F)F.[Na+]

Isomeric SMILES

C1C(O1)C(=O)OCCCCOC2=CC=CC(=C2)C(F)(F)F.[Na+]

InChI

InChI=1S/C14H15F3O4.Na/c15-14(16,17)10-4-3-5-11(8-10)19-6-1-2-7-20-13(18)12-9-21-12;/h3-5,8,12H,1-2,6-7,9H2;/q;+1