5-ethyl-1,3-bis(oxidanylidene)-4,6,7,7a-tetrahydro-3aH-2-benzofuran-5-carboxylic acid

Systemtic Name: 5-ethyl-1,3-bis(oxidanylidene)-4,6,7,7a-tetrahydro-3aH-2-benzofuran-5-carboxylic acid Openeye Name: 5-ethyl-1,3-dioxo-4,6,7,7a-tetrahydro-3aH-isobenzofuran-5-carboxylic acid CAS Name: 5-ethyl-1,3-dioxo-4,6,7,7a-tetrahydro-3aH-isobenzofuran-5-carboxylic acid IUPAC Name: 5-ethyl-1,3-dioxo-4,6,7,7a-tetrahydro-3aH-2-benzofuran-5-carboxylic acid Traditional Name: 5-ethyl-1,3-diketo-4,6,7,7a-tetrahydro-3aH-isobenzofuran-5-carboxylic acid Formula: C11H14O5 MolecularWeight: 226.22586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC2C(C1)C(=O)OC2=O)C(=O)O

Isomeric SMILES

CCC1(CCC2C(C1)C(=O)OC2=O)C(=O)O

InChI

InChI=1S/C11H14O5/c1-2-11(10(14)15)4-3-6-7(5-11)9(13)16-8(6)12/h6-7H,2-5H2,1H3,(H,14,15)