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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O6/c1-17-10-6-4-8(9(14)5-7-11(15)16)12(18-2)13(10)19-3/h4,6H,1-3H3,(H,15,16)