3-oxidanylidene-5-phenyl-pentanenitrile hydrate

Systemtic Name: 3-oxidanylidene-5-phenyl-pentanenitrile hydrate Openeye Name: 3-oxo-5-phenyl-pentanenitrile hydrate CAS Name: 3-oxo-5-phenylpentanenitrile hydrate IUPAC Name: 3-oxo-5-phenylpentanenitrile hydrate Traditional Name: 3-keto-5-phenyl-valeronitrile hydrate Formula: C11H13NO2 MolecularWeight: 191.22642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO.H2O/c12-9-8-11(13)7-6-10-4-2-1-3-5-10;/h1-5H,6-8H2;1H2