ethyl 4-(3-methyl-3-oxidanyl-but-1-ynyl)benzoate

Systemtic Name: ethyl 4-(3-methyl-3-oxidanyl-but-1-ynyl)benzoate Openeye Name: ethyl 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoate CAS Name: 4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate Traditional Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoic acid ethyl ester Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O3/c1-4-17-13(15)12-7-5-11(6-8-12)9-10-14(2,3)16/h5-8,16H,4H2,1-3H3