2-[3-(hydroxymethyl)-2,4-dimethyl-phenyl]benzenecarbonitrile

Systemtic Name: 2-[3-(hydroxymethyl)-2,4-dimethyl-phenyl]benzenecarbonitrile Openeye Name: 2-[3-(hydroxymethyl)-2,4-dimethyl-phenyl]benzonitrile CAS Name: 2-[3-(hydroxymethyl)-2,4-dimethylphenyl]benzonitrile IUPAC Name: 2-[3-(hydroxymethyl)-2,4-dimethylphenyl]benzonitrile Traditional Name: 2-(2,4-dimethyl-3-methylol-phenyl)benzonitrile Formula: C16H15NO MolecularWeight: 237.2964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2=CC=CC=C2C#N)C)CO

Isomeric SMILES

CC1=C(C(=C(C=C1)C2=CC=CC=C2C#N)C)CO

InChI

InChI=1S/C16H15NO/c1-11-7-8-14(12(2)16(11)10-18)15-6-4-3-5-13(15)9-17/h3-8,18H,10H2,1-2H3