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

Systemtic Name: 3-[2-(8-thiophen-2-yloctyl)-3-(trifluoromethyl)phenyl]oxirane-2-carbaldehyde Openeye Name: 3-[2-[8-(2-thienyl)octyl]-3-(trifluoromethyl)phenyl]oxirane-2-carbaldehyde CAS Name: 3-[2-(8-thiophen-2-yloctyl)-3-(trifluoromethyl)phenyl]-2-oxiranecarboxaldehyde IUPAC Name: 3-[2-(8-thiophen-2-yloctyl)-3-(trifluoromethyl)phenyl]oxirane-2-carbaldehyde Traditional Name: 3-[2-[8-(2-thienyl)octyl]-3-(trifluoromethyl)phenyl]oxirane-2-carbaldehyde Formula: C22H25F3O2S MolecularWeight: 410.49291

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(F)(F)F)CCCCCCCCC2=CC=CS2)C3C(O3)C=O

Isomeric SMILES

C1=CC(=C(C(=C1)C(F)(F)F)CCCCCCCCC2=CC=CS2)C3C(O3)C=O

InChI

InChI=1S/C22H25F3O2S/c23-22(24,25)19-13-7-12-18(21-20(15-26)27-21)17(19)11-6-4-2-1-3-5-9-16-10-8-14-28-16/h7-8,10,12-15,20-21H,1-6,9,11H2