4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)but-2-ynoic acid

Systemtic Name: 4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)but-2-ynoic acid Openeye Name: 4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-ynoic acid CAS Name: 4-oxo-4-(3,4,5-trimethoxyphenyl)-2-butynoic acid IUPAC Name: 4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-ynoic acid Traditional Name: 4-keto-4-(3,4,5-trimethoxyphenyl)but-2-ynoic acid Formula: C13H12O6 MolecularWeight: 264.23078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C#CC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C#CC(=O)O

InChI

InChI=1S/C13H12O6/c1-17-10-6-8(9(14)4-5-12(15)16)7-11(18-2)13(10)19-3/h6-7H,1-3H3,(H,15,16)