4-(2,6-dimethyl-4-oxidanyl-phenyl)carbonylbenzenecarbonitrile

Systemtic Name: 4-(2,6-dimethyl-4-oxidanyl-phenyl)carbonylbenzenecarbonitrile Openeye Name: 4-(4-hydroxy-2,6-dimethyl-benzoyl)benzonitrile CAS Name: 4-[(4-hydroxy-2,6-dimethylphenyl)-oxomethyl]benzonitrile IUPAC Name: 4-(4-hydroxy-2,6-dimethylbenzoyl)benzonitrile Traditional Name: 4-(4-hydroxy-2,6-dimethyl-benzoyl)benzonitrile Formula: C16H13NO2 MolecularWeight: 251.27992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)C2=CC=C(C=C2)C#N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)C2=CC=C(C=C2)C#N)C)O

InChI

InChI=1S/C16H13NO2/c1-10-7-14(18)8-11(2)15(10)16(19)13-5-3-12(9-17)4-6-13/h3-8,18H,1-2H3