methyl 4-oxidanyl-4-[4-(trifluoromethyl)phenyl]but-2-ynoate

Systemtic Name: methyl 4-oxidanyl-4-[4-(trifluoromethyl)phenyl]but-2-ynoate Openeye Name: methyl 4-hydroxy-4-[4-(trifluoromethyl)phenyl]but-2-ynoate CAS Name: 4-hydroxy-4-[4-(trifluoromethyl)phenyl]-2-butynoic acid methyl ester IUPAC Name: methyl 4-hydroxy-4-[4-(trifluoromethyl)phenyl]but-2-ynoate Traditional Name: 4-hydroxy-4-[4-(trifluoromethyl)phenyl]but-2-ynoic acid methyl ester Formula: C12H9F3O3 MolecularWeight: 258.19327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CC(C1=CC=C(C=C1)C(F)(F)F)O

Isomeric SMILES

COC(=O)C#CC(C1=CC=C(C=C1)C(F)(F)F)O

InChI

InChI=1S/C12H9F3O3/c1-18-11(17)7-6-10(16)8-2-4-9(5-3-8)12(13,14)15/h2-5,10,16H,1H3