2-[2,2,2-tris(fluoranyl)ethanoyl]benzenecarbonitrile hydrate

Systemtic Name: 2-[2,2,2-tris(fluoranyl)ethanoyl]benzenecarbonitrile hydrate Openeye Name: 2-(2,2,2-trifluoroacetyl)benzonitrile hydrate CAS Name: 2-(2,2,2-trifluoro-1-oxoethyl)benzonitrile hydrate IUPAC Name: 2-(2,2,2-trifluoroacetyl)benzonitrile hydrate Traditional Name: 2-(2,2,2-trifluoroacetyl)benzonitrile hydrate Formula: C9H6F3NO2 MolecularWeight: 217.14465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H4F3NO.H2O/c10-9(11,12)8(14)7-4-2-1-3-6(7)5-13;/h1-4H;1H2