tert-butyl 3-oxidanyl-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate

Systemtic Name: tert-butyl 3-oxidanyl-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate Openeye Name: tert-butyl 3-hydroxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate CAS Name: 3-hydroxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-hydroxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate Traditional Name: 3-hydroxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propionic acid tert-butyl ester Formula: C28H37F3O3 MolecularWeight: 478.58679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C1=C(C=CC(=C1)C(F)(F)F)CCCCCCCCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)CC(C1=C(C=CC(=C1)C(F)(F)F)CCCCCCCCC2=CC=CC=C2)O

InChI

InChI=1S/C28H37F3O3/c1-27(2,3)34-26(33)20-25(32)24-19-23(28(29,30)31)18-17-22(24)16-12-7-5-4-6-9-13-21-14-10-8-11-15-21/h8,10-11,14-15,17-19,25,32H,4-7,9,12-13,16,20H2,1-3H3