tert-butyl 6-[2-cyclopropyl-6-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-phenoxy]hexanoate

Systemtic Name: tert-butyl 6-[2-cyclopropyl-6-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-phenoxy]hexanoate Openeye Name: tert-butyl 6-[2-cyclopropyl-6-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanyl-phenoxy]hexanoate CAS Name: 6-[2-cyclopropyl-6-(4-fluorophenyl)-4-[(4-fluorophenyl)thio]phenoxy]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[2-cyclopropyl-6-(4-fluorophenyl)-4-(4-fluorophenyl)sulfanylphenoxy]hexanoate Traditional Name: 6-[2-cyclopropyl-6-(4-fluorophenyl)-4-[(4-fluorophenyl)thio]phenoxy]hexanoic acid tert-butyl ester Formula: C31H34F2O3S MolecularWeight: 524.661666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCOC1=C(C=C(C=C1C2=CC=C(C=C2)F)SC3=CC=C(C=C3)F)C4CC4

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCOC1=C(C=C(C=C1C2=CC=C(C=C2)F)SC3=CC=C(C=C3)F)C4CC4

InChI

InChI=1S/C31H34F2O3S/c1-31(2,3)36-29(34)7-5-4-6-18-35-30-27(21-8-9-21)19-26(37-25-16-14-24(33)15-17-25)20-28(30)22-10-12-23(32)13-11-22/h10-17,19-21H,4-9,18H2,1-3H3