4-(2,6-dimethoxyphenyl)-4-oxidanyl-but-2-ynoic acid

Systemtic Name: 4-(2,6-dimethoxyphenyl)-4-oxidanyl-but-2-ynoic acid Openeye Name: 4-(2,6-dimethoxyphenyl)-4-hydroxy-but-2-ynoic acid CAS Name: 4-(2,6-dimethoxyphenyl)-4-hydroxy-2-butynoic acid IUPAC Name: 4-(2,6-dimethoxyphenyl)-4-hydroxybut-2-ynoic acid Traditional Name: 4-(2,6-dimethoxyphenyl)-4-hydroxy-but-2-ynoic acid Formula: C12H12O5 MolecularWeight: 236.22068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C#CC(=O)O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C#CC(=O)O)O

InChI

InChI=1S/C12H12O5/c1-16-9-4-3-5-10(17-2)12(9)8(13)6-7-11(14)15/h3-5,8,13H,1-2H3,(H,14,15)