3,4,5-trimethyl-8-oxidanyl-6-oxidanylidene-4,4a-dihydro-3H-isochromene-5-carboxylate

Systemtic Name: 3,4,5-trimethyl-8-oxidanyl-6-oxidanylidene-4,4a-dihydro-3H-isochromene-5-carboxylate Openeye Name: 8-hydroxy-3,4,5-trimethyl-6-oxo-4,4a-dihydro-3H-isochromene-5-carboxylate CAS Name: 8-hydroxy-3,4,5-trimethyl-6-oxo-4,4a-dihydro-3H-2-benzopyran-5-carboxylate IUPAC Name: 8-hydroxy-3,4,5-trimethyl-6-oxo-4,4a-dihydro-3H-isochromene-5-carboxylate Traditional Name: 8-hydroxy-6-keto-3,4,5-trimethyl-4,4a-dihydro-3H-isochromene-5-carboxylate Formula: C13H15O5- MolecularWeight: 251.2552

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC=C2C1C(C(=O)C=C2O)(C)C(=O)[O-])C

Isomeric SMILES

CC1C(OC=C2C1C(C(=O)C=C2O)(C)C(=O)[O-])C

InChI

InChI=1S/C13H16O5/c1-6-7(2)18-5-8-9(14)4-10(15)13(3,11(6)8)12(16)17/h4-7,11,14H,1-3H3,(H,16,17)/p-1