methyl 4-(4,4-dimethoxy-3-oxidanyl-but-1-ynyl)benzoate

Systemtic Name: methyl 4-(4,4-dimethoxy-3-oxidanyl-but-1-ynyl)benzoate Openeye Name: methyl 4-(3-hydroxy-4,4-dimethoxy-but-1-ynyl)benzoate CAS Name: 4-(3-hydroxy-4,4-dimethoxybut-1-ynyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-hydroxy-4,4-dimethoxybut-1-ynyl)benzoate Traditional Name: 4-(3-hydroxy-4,4-dimethoxy-but-1-ynyl)benzoic acid methyl ester Formula: C14H16O5 MolecularWeight: 264.27384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O5/c1-17-13(16)11-7-4-10(5-8-11)6-9-12(15)14(18-2)19-3/h4-5,7-8,12,14-15H,1-3H3