2,6-ditert-butyl-4-[3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]phenol Openeye Name: 2,6-ditert-butyl-4-[3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]phenol CAS Name: 2,6-ditert-butyl-4-[3-[[3-(trifluoromethyl)phenyl]methylthio]propyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]phenol Traditional Name: 2,6-ditert-butyl-4-[3-[[3-(trifluoromethyl)benzyl]thio]propyl]phenol Formula: C25H33F3OS MolecularWeight: 438.58913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C25H33F3OS/c1-23(2,3)20-14-17(15-21(22(20)29)24(4,5)6)10-8-12-30-16-18-9-7-11-19(13-18)25(26,27)28/h7,9,11,13-15,29H,8,10,12,16H2,1-6H3