ethanal; 2-methyl-6-phenyl-benzenecarbonitrile

Systemtic Name: ethanal; 2-methyl-6-phenyl-benzenecarbonitrile Openeye Name: acetaldehyde; 2-methyl-6-phenyl-benzonitrile CAS Name: acetaldehyde; 2-methyl-6-phenylbenzonitrile IUPAC Name: acetaldehyde; 2-methyl-6-phenylbenzonitrile Traditional Name: acetaldehyde; 2-methyl-6-phenyl-benzonitrile Formula: C16H15NO MolecularWeight: 237.2964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N.C2H4O/c1-11-6-5-9-13(14(11)10-15)12-7-3-2-4-8-12;1-2-3/h2-9H,1H3;2H,1H3