methyl (E,4S)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]pent-2-enoate

Systemtic Name: methyl (E,4S)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]pent-2-enoate Openeye Name: methyl (E,4S)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]pent-2-enoate CAS Name: (E,4S)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-pentenoic acid methyl ester IUPAC Name: methyl (E,4S)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]pent-2-enoate Traditional Name: (E,4S)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]pent-2-enoic acid methyl ester Formula: C16H16F6O3 MolecularWeight: 370.286859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC(=O)OC)OC(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C[C@@H](/C=C/C(=O)OC)O[C@@H](C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H16F6O3/c1-9(4-5-14(23)24-3)25-10(2)11-6-12(15(17,18)19)8-13(7-11)16(20,21)22/h4-10H,1-3H3/b5-4+/t9-,10-/m0/s1