methyl 4-(5-oxidanylpent-1-ynyl)benzoate

Systemtic Name: methyl 4-(5-oxidanylpent-1-ynyl)benzoate Openeye Name: methyl 4-(5-hydroxypent-1-ynyl)benzoate CAS Name: 4-(5-hydroxypent-1-ynyl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-hydroxypent-1-ynyl)benzoate Traditional Name: 4-(5-hydroxypent-1-ynyl)benzoic acid methyl ester Formula: C13H14O3 MolecularWeight: 218.24846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3/c1-16-13(15)12-8-6-11(7-9-12)5-3-2-4-10-14/h6-9,14H,2,4,10H2,1H3