methyl 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: methyl 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: methyl 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylate CAS Name: 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylic acid methyl ester IUPAC Name: methyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate Traditional Name: 4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-7-10-8(14)5-13(2,3)6-9(10)17-11(7)12(15)16-4/h5-6H2,1-4H3