4-(3-methyl-3-oxidanyl-but-1-ynyl)benzenecarbonitrile

Systemtic Name: 4-(3-methyl-3-oxidanyl-but-1-ynyl)benzenecarbonitrile Openeye Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)benzonitrile CAS Name: 4-(3-hydroxy-3-methylbut-1-ynyl)benzonitrile IUPAC Name: 4-(3-hydroxy-3-methylbut-1-ynyl)benzonitrile Traditional Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)benzonitrile Formula: C12H11NO MolecularWeight: 185.22184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C#N)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C#N)O

InChI

InChI=1S/C12H11NO/c1-12(2,14)8-7-10-3-5-11(9-13)6-4-10/h3-6,14H,1-2H3