5-(2-oxidanylidenepropyl)-3H-1-benzofuran-2,2-dicarboxylic acid

Systemtic Name: 5-(2-oxidanylidenepropyl)-3H-1-benzofuran-2,2-dicarboxylic acid Openeye Name: 5-acetonyl-3H-benzofuran-2,2-dicarboxylic acid CAS Name: 5-(2-oxopropyl)-3H-benzofuran-2,2-dicarboxylic acid IUPAC Name: 5-(2-oxopropyl)-3H-1-benzofuran-2,2-dicarboxylic acid Traditional Name: 5-acetonylcoumaran-2,2-dicarboxylic acid Formula: C13H12O6 MolecularWeight: 264.23078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC2=C(C=C1)OC(C2)(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)CC1=CC2=C(C=C1)OC(C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C13H12O6/c1-7(14)4-8-2-3-10-9(5-8)6-13(19-10,11(15)16)12(17)18/h2-3,5H,4,6H2,1H3,(H,15,16)(H,17,18)