methyl 4-(1-oxidanylbut-3-ynyl)benzoate

Systemtic Name: methyl 4-(1-oxidanylbut-3-ynyl)benzoate Openeye Name: methyl 4-(1-hydroxybut-3-ynyl)benzoate CAS Name: 4-(1-hydroxybut-3-ynyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1-hydroxybut-3-ynyl)benzoate Traditional Name: 4-(1-hydroxybut-3-ynyl)benzoic acid methyl ester Formula: C12H12O3 MolecularWeight: 204.22188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O3/c1-3-4-11(13)9-5-7-10(8-6-9)12(14)15-2/h1,5-8,11,13H,4H2,2H3