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

Systemtic Name: 3-(3-methyl-3-oxidanyl-but-1-ynyl)benzoate Openeye Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)benzoate CAS Name: 3-(3-hydroxy-3-methylbut-1-ynyl)benzoate IUPAC Name: 3-(3-hydroxy-3-methylbut-1-ynyl)benzoate Traditional Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)benzoate Formula: C12H11O3- MolecularWeight: 203.21394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC=C1)C(=O)[O-])O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)C(=O)[O-])O

InChI

InChI=1S/C12H12O3/c1-12(2,15)7-6-9-4-3-5-10(8-9)11(13)14/h3-5,8,15H,1-2H3,(H,13,14)/p-1