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

Systemtic Name: methyl 1,4,6-trimethyl-1-oxidanyl-3-oxidanylidene-2-benzofuran-5-carboxylate Openeye Name: methyl 1-hydroxy-1,4,6-trimethyl-3-oxo-isobenzofuran-5-carboxylate CAS Name: 1-hydroxy-1,4,6-trimethyl-3-oxo-5-isobenzofurancarboxylic acid methyl ester IUPAC Name: methyl 1-hydroxy-1,4,6-trimethyl-3-oxo-2-benzofuran-5-carboxylate Traditional Name: 1-hydroxy-3-keto-1,4,6-trimethyl-phthalan-5-carboxylic acid methyl ester Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C(OC2=O)(C)O)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=C2C(=C1)C(OC2=O)(C)O)C)C(=O)OC

InChI

InChI=1S/C13H14O5/c1-6-5-8-10(12(15)18-13(8,3)16)7(2)9(6)11(14)17-4/h5,16H,1-4H3