methyl 2-(3,5-dimethyl-4-oxidanyl-phenyl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate

Systemtic Name: methyl 2-(3,5-dimethyl-4-oxidanyl-phenyl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-3,5-dimethyl-phenyl)propanoate CAS Name: 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-3,5-dimethylphenyl)propanoic acid methyl ester IUPAC Name: methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-3,5-dimethylphenyl)propanoate Traditional Name: 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-3,5-dimethyl-phenyl)propionic acid methyl ester Formula: C12H13F3O4 MolecularWeight: 278.22443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C(C(=O)OC)(C(F)(F)F)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C(C(=O)OC)(C(F)(F)F)O

InChI

InChI=1S/C12H13F3O4/c1-6-4-8(5-7(2)9(6)16)11(18,10(17)19-3)12(13,14)15/h4-5,16,18H,1-3H3