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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O3/c1-9(13)3-4-10-5-7-11(8-6-10)12(14)15-2/h5-9,13H,1-2H3