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

Systemtic Name: [4-methyl-2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl] ethanoate Openeye Name: [2-(3-hydroxy-3-methyl-but-1-ynyl)-4-methyl-phenyl] acetate CAS Name: acetic acid [2-(3-hydroxy-3-methylbut-1-ynyl)-4-methylphenyl] ester IUPAC Name: [2-(3-hydroxy-3-methylbut-1-ynyl)-4-methylphenyl] acetate Traditional Name: acetic acid [2-(3-hydroxy-3-methyl-but-1-ynyl)-4-methyl-phenyl] ester Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O3/c1-10-5-6-13(17-11(2)15)12(9-10)7-8-14(3,4)16/h5-6,9,16H,1-4H3