2-ethyl-6-methyl-3-oxidanyl-4-oxidanylidene-2,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid

Systemtic Name: 2-ethyl-6-methyl-3-oxidanyl-4-oxidanylidene-2,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid Openeye Name: 2-ethyl-3-hydroxy-6-methyl-4-oxo-2,5,6,7-tetrahydrobenzofuran-3-carboxylic acid CAS Name: 2-ethyl-3-hydroxy-6-methyl-4-oxo-2,5,6,7-tetrahydrobenzofuran-3-carboxylic acid IUPAC Name: 2-ethyl-3-hydroxy-6-methyl-4-oxo-2,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid Traditional Name: 2-ethyl-3-hydroxy-4-keto-6-methyl-2,5,6,7-tetrahydrobenzofuran-3-carboxylic acid Formula: C12H16O5 MolecularWeight: 240.25244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2=C(O1)CC(CC2=O)C)(C(=O)O)O

Isomeric SMILES

CCC1C(C2=C(O1)CC(CC2=O)C)(C(=O)O)O

InChI

InChI=1S/C12H16O5/c1-3-9-12(16,11(14)15)10-7(13)4-6(2)5-8(10)17-9/h6,9,16H,3-5H2,1-2H3,(H,14,15)