1-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]ethanone

Systemtic Name: 1-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]ethanone Openeye Name: 1-[3-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]ethanone CAS Name: 1-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]ethanone IUPAC Name: 1-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]ethanone Traditional Name: 1-[3-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]ethanone Formula: C13H14O2 MolecularWeight: 202.24906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O2/c1-10(14)12-6-4-5-11(9-12)7-8-13(2,3)15/h4-6,9,15H,1-3H3