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

Systemtic Name: methyl 4-(3-methyl-3-oxidanyl-but-1-ynyl)benzoate Openeye Name: methyl 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoate CAS Name: 4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate Traditional Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoic acid methyl ester Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3/c1-13(2,15)9-8-10-4-6-11(7-5-10)12(14)16-3/h4-7,15H,1-3H3