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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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