2-chloranyl-4-[(E)-4,4,4-tris(fluoranyl)-3-methyl-3-oxidanyl-but-1-enyl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[(E)-4,4,4-tris(fluoranyl)-3-methyl-3-oxidanyl-but-1-enyl]benzenecarbonitrile Openeye Name: 2-chloro-4-[(E)-4,4,4-trifluoro-3-hydroxy-3-methyl-but-1-enyl]benzonitrile CAS Name: 2-chloro-4-[(E)-4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enyl]benzonitrile IUPAC Name: 2-chloro-4-[(E)-4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enyl]benzonitrile Traditional Name: 2-chloro-4-[(E)-4,4,4-trifluoro-3-hydroxy-3-methyl-but-1-enyl]benzonitrile Formula: C12H9ClF3NO MolecularWeight: 275.65417

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC(=C(C=C1)C#N)Cl)(C(F)(F)F)O

Isomeric SMILES

CC(/C=C/C1=CC(=C(C=C1)C#N)Cl)(C(F)(F)F)O

InChI

InChI=1S/C12H9ClF3NO/c1-11(18,12(14,15)16)5-4-8-2-3-9(7-17)10(13)6-8/h2-6,18H,1H3/b5-4+