3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylic acid CAS Name: 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)O

InChI

InChI=1S/C12H14O4/c1-6-9-7(13)4-12(2,3)5-8(9)16-10(6)11(14)15/h4-5H2,1-3H3,(H,14,15)