phenyl 2-octyl-3-[2-(trifluoromethyl)phenyl]oxirane-2-carboxylate

Systemtic Name: phenyl 2-octyl-3-[2-(trifluoromethyl)phenyl]oxirane-2-carboxylate Openeye Name: phenyl 2-octyl-3-[2-(trifluoromethyl)phenyl]oxirane-2-carboxylate CAS Name: 2-octyl-3-[2-(trifluoromethyl)phenyl]-2-oxiranecarboxylic acid phenyl ester IUPAC Name: phenyl 2-octyl-3-[2-(trifluoromethyl)phenyl]oxirane-2-carboxylate Traditional Name: 2-octyl-3-[2-(trifluoromethyl)phenyl]oxirane-2-carboxylic acid phenyl ester Formula: C24H27F3O3 MolecularWeight: 420.46459

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C(O1)C2=CC=CC=C2C(F)(F)F)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1(C(O1)C2=CC=CC=C2C(F)(F)F)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C24H27F3O3/c1-2-3-4-5-6-12-17-23(22(28)29-18-13-8-7-9-14-18)21(30-23)19-15-10-11-16-20(19)24(25,26)27/h7-11,13-16,21H,2-6,12,17H2,1H3