3-(3-oxidanylbut-1-ynyl)benzenecarbonitrile

Systemtic Name: 3-(3-oxidanylbut-1-ynyl)benzenecarbonitrile Openeye Name: 3-(3-hydroxybut-1-ynyl)benzonitrile CAS Name: 3-(3-hydroxybut-1-ynyl)benzonitrile IUPAC Name: 3-(3-hydroxybut-1-ynyl)benzonitrile Traditional Name: 3-(3-hydroxybut-1-ynyl)benzonitrile Formula: C11H9NO MolecularWeight: 171.19526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO/c1-9(13)5-6-10-3-2-4-11(7-10)8-12/h2-4,7,9,13H,1H3