4-tert-butyl-2,6-dimethyl-benzenecarbonitrile

Systemtic Name: 4-tert-butyl-2,6-dimethyl-benzenecarbonitrile Openeye Name: 4-tert-butyl-2,6-dimethyl-benzonitrile CAS Name: 4-tert-butyl-2,6-dimethylbenzonitrile IUPAC Name: 4-tert-butyl-2,6-dimethylbenzonitrile Traditional Name: 4-tert-butyl-2,6-dimethyl-benzonitrile Formula: C13H17N MolecularWeight: 187.28078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N/c1-9-6-11(13(3,4)5)7-10(2)12(9)8-14/h6-7H,1-5H3