3-[1,2-bis(oxidanyl)ethyl]-5-methoxy-3,4-dimethyl-7-oxidanyl-2-benzofuran-1-one

Systemtic Name: 3-[1,2-bis(oxidanyl)ethyl]-5-methoxy-3,4-dimethyl-7-oxidanyl-2-benzofuran-1-one Openeye Name: 3-(1,2-dihydroxyethyl)-7-hydroxy-5-methoxy-3,4-dimethyl-isobenzofuran-1-one CAS Name: 3-(1,2-dihydroxyethyl)-7-hydroxy-5-methoxy-3,4-dimethyl-1-isobenzofuranone IUPAC Name: 3-(1,2-dihydroxyethyl)-7-hydroxy-5-methoxy-3,4-dimethyl-2-benzofuran-1-one Traditional Name: 3-(1,2-dihydroxyethyl)-7-hydroxy-5-methoxy-3,4-dimethyl-phthalide Formula: C13H16O6 MolecularWeight: 268.26254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O6/c1-6-8(18-3)4-7(15)10-11(6)13(2,9(16)5-14)19-12(10)17/h4,9,14-16H,5H2,1-3H3