methyl 3,3,3-tris(fluoranyl)-2-[(4-methylphenyl)-oxidanyl-methyl]-2-oxidanyl-propanoate

Systemtic Name: methyl 3,3,3-tris(fluoranyl)-2-[(4-methylphenyl)-oxidanyl-methyl]-2-oxidanyl-propanoate Openeye Name: methyl 3,3,3-trifluoro-2-hydroxy-2-[hydroxy(p-tolyl)methyl]propanoate CAS Name: 3,3,3-trifluoro-2-hydroxy-2-[hydroxy-(4-methylphenyl)methyl]propanoic acid methyl ester IUPAC Name: methyl 3,3,3-trifluoro-2-hydroxy-2-[hydroxy-(4-methylphenyl)methyl]propanoate Traditional Name: 3,3,3-trifluoro-2-hydroxy-2-[hydroxy(p-tolyl)methyl]propionic acid methyl ester Formula: C12H13F3O4 MolecularWeight: 278.22443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C(=O)OC)(C(F)(F)F)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C(=O)OC)(C(F)(F)F)O)O

InChI

InChI=1S/C12H13F3O4/c1-7-3-5-8(6-4-7)9(16)11(18,10(17)19-2)12(13,14)15/h3-6,9,16,18H,1-2H3