methyl 4-(3-oxidanylpent-4-ynyl)benzoate

Systemtic Name: methyl 4-(3-oxidanylpent-4-ynyl)benzoate Openeye Name: methyl 4-(3-hydroxypent-4-ynyl)benzoate CAS Name: 4-(3-hydroxypent-4-ynyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-hydroxypent-4-ynyl)benzoate Traditional Name: 4-(3-hydroxypent-4-ynyl)benzoic acid methyl ester Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3/c1-3-12(14)9-6-10-4-7-11(8-5-10)13(15)16-2/h1,4-5,7-8,12,14H,6,9H2,2H3