tert-butyl 4-(3-methyl-3-oxidanyl-but-1-ynyl)benzoate

Systemtic Name: tert-butyl 4-(3-methyl-3-oxidanyl-but-1-ynyl)benzoate Openeye Name: tert-butyl 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoate CAS Name: 4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate Traditional Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoic acid tert-butyl ester Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O3/c1-15(2,3)19-14(17)13-8-6-12(7-9-13)10-11-16(4,5)18/h6-9,18H,1-5H3