[3-(trifluoromethyl)phenyl] 2-(8-thiophen-2-yloctyl)oxirane-2-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl] 2-(8-thiophen-2-yloctyl)oxirane-2-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl] 2-[8-(2-thienyl)octyl]oxirane-2-carboxylate CAS Name: 2-(8-thiophen-2-yloctyl)-2-oxiranecarboxylic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 2-(8-thiophen-2-yloctyl)oxirane-2-carboxylate Traditional Name: 2-[8-(2-thienyl)octyl]oxirane-2-carboxylic acid [3-(trifluoromethyl)phenyl] ester Formula: C22H25F3O3S MolecularWeight: 426.49231

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)(CCCCCCCCC2=CC=CS2)C(=O)OC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1C(O1)(CCCCCCCCC2=CC=CS2)C(=O)OC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H25F3O3S/c23-22(24,25)17-9-7-10-18(15-17)28-20(26)21(16-27-21)13-6-4-2-1-3-5-11-19-12-8-14-29-19/h7-10,12,14-15H,1-6,11,13,16H2