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

Systemtic Name: methyl 3-methylsulfonyloxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate Openeye Name: methyl 3-methylsulfonyloxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate CAS Name: 3-methylsulfonyloxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyloxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate Traditional Name: 3-methylsulfonyloxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propionic acid methyl ester Formula: C26H33F3O5S MolecularWeight: 514.59743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33F3O5S/c1-33-25(30)19-24(34-35(2,31)32)23-18-22(26(27,28)29)17-16-21(23)15-11-6-4-3-5-8-12-20-13-9-7-10-14-20/h7,9-10,13-14,16-18,24H,3-6,8,11-12,15,19H2,1-2H3