4-(2,5-dimethoxyphenyl)-4-oxidanylidene-but-2-ynoic acid

Systemtic Name: 4-(2,5-dimethoxyphenyl)-4-oxidanylidene-but-2-ynoic acid Openeye Name: 4-(2,5-dimethoxyphenyl)-4-oxo-but-2-ynoic acid CAS Name: 4-(2,5-dimethoxyphenyl)-4-oxo-2-butynoic acid IUPAC Name: 4-(2,5-dimethoxyphenyl)-4-oxobut-2-ynoic acid Traditional Name: 4-(2,5-dimethoxyphenyl)-4-keto-but-2-ynoic acid Formula: C12H10O5 MolecularWeight: 234.2048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10O5/c1-16-8-3-5-11(17-2)9(7-8)10(13)4-6-12(14)15/h3,5,7H,1-2H3,(H,14,15)