[2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl] ethanoate

Systemtic Name: [2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl] ethanoate Openeye Name: [2-(3-hydroxy-3-methyl-but-1-ynyl)phenyl] acetate CAS Name: acetic acid [2-(3-hydroxy-3-methylbut-1-ynyl)phenyl] ester IUPAC Name: [2-(3-hydroxy-3-methylbut-1-ynyl)phenyl] acetate Traditional Name: acetic acid [2-(3-hydroxy-3-methyl-but-1-ynyl)phenyl] ester Formula: C13H14O3 MolecularWeight: 218.24846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C#CC(C)(C)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C#CC(C)(C)O

InChI

InChI=1S/C13H14O3/c1-10(14)16-12-7-5-4-6-11(12)8-9-13(2,3)15/h4-7,15H,1-3H3