4-(1,3-benzodioxol-5-yl)-4-oxidanylidene-but-2-ynoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-4-oxidanylidene-but-2-ynoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-4-oxo-but-2-ynoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-4-oxo-2-butynoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-4-oxobut-2-ynoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-4-keto-but-2-ynoic acid Formula: C11H6O5 MolecularWeight: 218.16234

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C#CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)C#CC(=O)O

InChI

InChI=1S/C11H6O5/c12-8(2-4-11(13)14)7-1-3-9-10(5-7)16-6-15-9/h1,3,5H,6H2,(H,13,14)