ethane-1,2-diol; 4-oxidanylidene-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: ethane-1,2-diol; 4-oxidanylidene-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: ethylene glycol; 4-oxo-1-phenyl-cyclohexanecarbonitrile CAS Name: ethane-1,2-diol; 4-oxo-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: ethane-1,2-diol; 4-oxo-1-phenylcyclohexane-1-carbonitrile Traditional Name: ethylene glycol; 4-keto-1-phenyl-cyclohexanecarbonitrile Formula: C15H19NO3 MolecularWeight: 261.31626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1=O)(C#N)C2=CC=CC=C2.C(CO)O

Isomeric SMILES

C1CC(CCC1=O)(C#N)C2=CC=CC=C2.C(CO)O

InChI

InChI=1S/C13H13NO.C2H6O2/c14-10-13(8-6-12(15)7-9-13)11-4-2-1-3-5-11;3-1-2-4/h1-5H,6-9H2;3-4H,1-2H2