4-(3-methyl-3-oxidanyl-butyl)benzenecarbonitrile

Systemtic Name: 4-(3-methyl-3-oxidanyl-butyl)benzenecarbonitrile Openeye Name: 4-(3-hydroxy-3-methyl-butyl)benzonitrile CAS Name: 4-(3-hydroxy-3-methylbutyl)benzonitrile IUPAC Name: 4-(3-hydroxy-3-methylbutyl)benzonitrile Traditional Name: 4-(3-hydroxy-3-methyl-butyl)benzonitrile Formula: C12H15NO MolecularWeight: 189.2536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=C(C=C1)C#N)O

Isomeric SMILES

CC(C)(CCC1=CC=C(C=C1)C#N)O

InChI

InChI=1S/C12H15NO/c1-12(2,14)8-7-10-3-5-11(9-13)6-4-10/h3-6,14H,7-8H2,1-2H3