sodium 3,3-dimethyl-2-[4-(trifluoromethyl)phenyl]oxirane-2-carboxylate

Systemtic Name: sodium 3,3-dimethyl-2-[4-(trifluoromethyl)phenyl]oxirane-2-carboxylate Openeye Name: sodium 3,3-dimethyl-2-[4-(trifluoromethyl)phenyl]oxirane-2-carboxylate CAS Name: sodium 3,3-dimethyl-2-[4-(trifluoromethyl)phenyl]-2-oxiranecarboxylate IUPAC Name: sodium 3,3-dimethyl-2-[4-(trifluoromethyl)phenyl]oxirane-2-carboxylate Traditional Name: sodium 3,3-dimethyl-2-[4-(trifluoromethyl)phenyl]oxirane-2-carboxylate Formula: C12H10F3NaO3 MolecularWeight: 282.19098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3O3.Na/c1-10(2)11(18-10,9(16)17)7-3-5-8(6-4-7)12(13,14)15;/h3-6H,1-2H3,(H,16,17);/q;+1/p-1