4-(4,4-dimethoxy-3-oxidanyl-but-1-ynyl)benzoic acid

Systemtic Name: 4-(4,4-dimethoxy-3-oxidanyl-but-1-ynyl)benzoic acid Openeye Name: 4-(3-hydroxy-4,4-dimethoxy-but-1-ynyl)benzoic acid CAS Name: 4-(3-hydroxy-4,4-dimethoxybut-1-ynyl)benzoic acid IUPAC Name: 4-(3-hydroxy-4,4-dimethoxybut-1-ynyl)benzoic acid Traditional Name: 4-(3-hydroxy-4,4-dimethoxy-but-1-ynyl)benzoic acid Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O5/c1-17-13(18-2)11(14)8-5-9-3-6-10(7-4-9)12(15)16/h3-4,6-7,11,13-14H,1-2H3,(H,15,16)