[3-(thiophen-3-ylmethoxy)phenyl] 2-cyano-2-[2-(trifluoromethyl)phenyl]ethaneperoxoate

Systemtic Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-cyano-2-[2-(trifluoromethyl)phenyl]ethaneperoxoate Openeye Name: [3-(3-thienylmethoxy)phenyl] 2-cyano-2-[2-(trifluoromethyl)phenyl]peroxyacetate CAS Name: 2-cyano-2-[2-(trifluoromethyl)phenyl]ethaneperoxoic acid [3-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-cyano-2-[2-(trifluoromethyl)phenyl]ethaneperoxoate Traditional Name: 2-cyano-2-[2-(trifluoromethyl)phenyl]peracetic acid [3-(3-thenyloxy)phenyl] ester Formula: C21H14F3NO4S MolecularWeight: 433.40037

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3)C(F)(F)F

InChI

InChI=1S/C21H14F3NO4S/c22-21(23,24)19-7-2-1-6-17(19)18(11-25)20(26)29-28-16-5-3-4-15(10-16)27-12-14-8-9-30-13-14/h1-10,13,18H,12H2