[3-(trifluoromethyl)phenyl] 2-(1-thiophen-2-yloctyl)oxirane-2-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl] 2-(1-thiophen-2-yloctyl)oxirane-2-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl] 2-[1-(2-thienyl)octyl]oxirane-2-carboxylate CAS Name: 2-(1-thiophen-2-yloctyl)-2-oxiranecarboxylic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 2-(1-thiophen-2-yloctyl)oxirane-2-carboxylate Traditional Name: 2-[1-(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:

CCCCCCCC(C1=CC=CS1)C2(CO2)C(=O)OC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCCCCC(C1=CC=CS1)C2(CO2)C(=O)OC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H25F3O3S/c1-2-3-4-5-6-11-18(19-12-8-13-29-19)21(15-27-21)20(26)28-17-10-7-9-16(14-17)22(23,24)25/h7-10,12-14,18H,2-6,11,15H2,1H3