(3R,4S)-3,4,5-trimethyl-6,8-bis(oxidanyl)-1-oxidanylidene-3,4-dihydroisochromene-7-carboxylate

Systemtic Name: (3R,4S)-3,4,5-trimethyl-6,8-bis(oxidanyl)-1-oxidanylidene-3,4-dihydroisochromene-7-carboxylate Openeye Name: (3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-isochromane-7-carboxylate CAS Name: (3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylate IUPAC Name: (3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydroisochromene-7-carboxylate Traditional Name: (3R,4S)-6,8-dihydroxy-1-keto-3,4,5-trimethyl-isochroman-7-carboxylate Formula: C13H13O6- MolecularWeight: 265.23872

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)C2=C1C(=C(C(=C2O)C(=O)[O-])O)C)C

Isomeric SMILES

C[C@@H]1[C@H](OC(=O)C2=C1C(=C(C(=C2O)C(=O)[O-])O)C)C

InChI

InChI=1S/C13H14O6/c1-4-6(3)19-13(18)8-7(4)5(2)10(14)9(11(8)15)12(16)17/h4,6,14-15H,1-3H3,(H,16,17)/p-1/t4-,6-/m1/s1