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

Systemtic Name: methyl 3-oxidanyl-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate Openeye Name: methyl 3-hydroxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate CAS Name: 3-hydroxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate Traditional Name: 3-hydroxy-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propionic acid methyl ester Formula: C25H31F3O3 MolecularWeight: 436.50705

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C25H31F3O3/c1-31-24(30)18-23(29)22-17-21(25(26,27)28)16-15-20(22)14-10-5-3-2-4-7-11-19-12-8-6-9-13-19/h6,8-9,12-13,15-17,23,29H,2-5,7,10-11,14,18H2,1H3