5-ethyl-3,6-dimethyl-1-oxidanylidene-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-4-carboxylic acid

Systemtic Name: 5-ethyl-3,6-dimethyl-1-oxidanylidene-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-4-carboxylic acid Openeye Name: 5-ethyl-3,6-dimethyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-4-carboxylic acid CAS Name: 5-ethyl-3,6-dimethyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-4-carboxylic acid IUPAC Name: 5-ethyl-3,6-dimethyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-4-carboxylic acid Traditional Name: 5-ethyl-1-keto-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-4-carboxylic acid Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC2C(C1C(=O)O)C(OC2=O)C)C

Isomeric SMILES

CCC1C(CC2C(C1C(=O)O)C(OC2=O)C)C

InChI

InChI=1S/C13H20O4/c1-4-8-6(2)5-9-10(11(8)12(14)15)7(3)17-13(9)16/h6-11H,4-5H2,1-3H3,(H,14,15)