4-tert-butyl-2,6-dimethyl-3-oxidanyl-benzenecarbonitrile

Systemtic Name: 4-tert-butyl-2,6-dimethyl-3-oxidanyl-benzenecarbonitrile Openeye Name: 4-tert-butyl-3-hydroxy-2,6-dimethyl-benzonitrile CAS Name: 4-tert-butyl-3-hydroxy-2,6-dimethylbenzonitrile IUPAC Name: 4-tert-butyl-3-hydroxy-2,6-dimethylbenzonitrile Traditional Name: 4-tert-butyl-3-hydroxy-2,6-dimethyl-benzonitrile Formula: C13H17NO MolecularWeight: 203.28018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO/c1-8-6-11(13(3,4)5)12(15)9(2)10(8)7-14/h6,15H,1-5H3