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

Systemtic Name: 4-chloranyl-3-(3-methyl-3-oxidanyl-but-1-ynyl)benzenecarbonitrile Openeye Name: 4-chloro-3-(3-hydroxy-3-methyl-but-1-ynyl)benzonitrile CAS Name: 4-chloro-3-(3-hydroxy-3-methylbut-1-ynyl)benzonitrile IUPAC Name: 4-chloro-3-(3-hydroxy-3-methylbut-1-ynyl)benzonitrile Traditional Name: 4-chloro-3-(3-hydroxy-3-methyl-but-1-ynyl)benzonitrile Formula: C12H10ClNO MolecularWeight: 219.6669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClNO/c1-12(2,15)6-5-10-7-9(8-14)3-4-11(10)13/h3-4,7,15H,1-2H3