5-(methoxymethyl)-3,4-dimethyl-6,8-bis(oxidanyl)-1-oxidanylidene-3,4-dihydroisochromene-7-carboxylic acid

Systemtic Name: 5-(methoxymethyl)-3,4-dimethyl-6,8-bis(oxidanyl)-1-oxidanylidene-3,4-dihydroisochromene-7-carboxylic acid Openeye Name: 6,8-dihydroxy-5-(methoxymethyl)-3,4-dimethyl-1-oxo-isochromane-7-carboxylic acid CAS Name: 6,8-dihydroxy-5-(methoxymethyl)-3,4-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid IUPAC Name: 6,8-dihydroxy-5-(methoxymethyl)-3,4-dimethyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid Traditional Name: 6,8-dihydroxy-1-keto-5-(methoxymethyl)-3,4-dimethyl-isochroman-7-carboxylic acid Formula: C14H16O7 MolecularWeight: 296.27264

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)C2=C1C(=C(C(=C2O)C(=O)O)O)COC)C

Isomeric SMILES

CC1C(OC(=O)C2=C1C(=C(C(=C2O)C(=O)O)O)COC)C

InChI

InChI=1S/C14H16O7/c1-5-6(2)21-14(19)9-8(5)7(4-20-3)11(15)10(12(9)16)13(17)18/h5-6,15-16H,4H2,1-3H3,(H,17,18)