5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-phenyl-oxane-3-carboxylic acid

Systemtic Name: 5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-phenyl-oxane-3-carboxylic acid Openeye Name: 5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-phenyl-tetrahydropyran-3-carboxylic acid CAS Name: 5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-phenyl-3-oxanecarboxylic acid IUPAC Name: 5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-phenyloxane-3-carboxylic acid Traditional Name: 5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-phenyl-tetrahydropyran-3-carboxylic acid Formula: C22H20F6O4 MolecularWeight: 462.382219

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2COCC(C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2COCC(C2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H20F6O4/c1-12(14-7-15(21(23,24)25)9-16(8-14)22(26,27)28)32-18-11-31-10-17(20(29)30)19(18)13-5-3-2-4-6-13/h2-9,12,17-19H,10-11H2,1H3,(H,29,30)