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

Systemtic Name: [4-methanoyl-2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl] ethanoate Openeye Name: [4-formyl-2-(3-hydroxy-3-methyl-but-1-ynyl)phenyl] acetate CAS Name: acetic acid [4-formyl-2-(3-hydroxy-3-methylbut-1-ynyl)phenyl] ester IUPAC Name: [4-formyl-2-(3-hydroxy-3-methylbut-1-ynyl)phenyl] acetate Traditional Name: acetic acid [4-formyl-2-(3-hydroxy-3-methyl-but-1-ynyl)phenyl] ester Formula: C14H14O4 MolecularWeight: 246.25856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=O)C#CC(C)(C)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C=O)C#CC(C)(C)O

InChI

InChI=1S/C14H14O4/c1-10(16)18-13-5-4-11(9-15)8-12(13)6-7-14(2,3)17/h4-5,8-9,17H,1-3H3