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

Systemtic Name: tert-butyl 3-methylsulfonyloxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate Openeye Name: tert-butyl 3-methylsulfonyloxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate CAS Name: 3-methylsulfonyloxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-methylsulfonyloxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate Traditional Name: 3-methylsulfonyloxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propionic acid tert-butyl ester Formula: C29H39F3O5S MolecularWeight: 556.67717

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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)OS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C29H39F3O5S/c1-28(2,3)36-27(33)21-26(37-38(4,34)35)25-20-24(29(30,31)32)19-18-23(25)17-13-8-6-5-7-10-14-22-15-11-9-12-16-22/h9,11-12,15-16,18-20,26H,5-8,10,13-14,17,21H2,1-4H3