2-[2-methoxy-3-[5,5,5-tris(fluoranyl)-4-methanoyl-2-methyl-4-oxidanyl-pentan-2-yl]phenyl]ethanenitrile

Systemtic Name: 2-[2-methoxy-3-[5,5,5-tris(fluoranyl)-4-methanoyl-2-methyl-4-oxidanyl-pentan-2-yl]phenyl]ethanenitrile Openeye Name: 2-[2-methoxy-3-(4,4,4-trifluoro-3-formyl-3-hydroxy-1,1-dimethyl-butyl)phenyl]acetonitrile CAS Name: 2-[2-methoxy-3-(5,5,5-trifluoro-4-formyl-4-hydroxy-2-methylpentan-2-yl)phenyl]acetonitrile IUPAC Name: 2-[2-methoxy-3-(5,5,5-trifluoro-4-formyl-4-hydroxy-2-methylpentan-2-yl)phenyl]acetonitrile Traditional Name: 2-[2-methoxy-3-(4,4,4-trifluoro-3-formyl-3-hydroxy-1,1-dimethyl-butyl)phenyl]acetonitrile Formula: C16H18F3NO3 MolecularWeight: 329.31423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C=O)(C(F)(F)F)O)C1=CC=CC(=C1OC)CC#N

Isomeric SMILES

CC(C)(CC(C=O)(C(F)(F)F)O)C1=CC=CC(=C1OC)CC#N

InChI

InChI=1S/C16H18F3NO3/c1-14(2,9-15(22,10-21)16(17,18)19)12-6-4-5-11(7-8-20)13(12)23-3/h4-6,10,22H,7,9H2,1-3H3