methyl (4R,4aS)-6-(hydroxymethyl)-4,8-bis(oxidanyl)-9-oxidanylidene-4H-xanthene-4a-carboxylate

Systemtic Name: methyl (4R,4aS)-6-(hydroxymethyl)-4,8-bis(oxidanyl)-9-oxidanylidene-4H-xanthene-4a-carboxylate Openeye Name: methyl (4R,4aS)-4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-4H-xanthene-4a-carboxylate CAS Name: (4R,4aS)-4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-4H-xanthene-4a-carboxylic acid methyl ester IUPAC Name: methyl (4R,4aS)-4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-4H-xanthene-4a-carboxylate Traditional Name: (4R,4aS)-4,8-dihydroxy-9-keto-6-methylol-4H-xanthene-4a-carboxylic acid methyl ester Formula: C16H14O7 MolecularWeight: 318.27816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12C(C=CC=C1C(=O)C3=C(O2)C=C(C=C3O)CO)O

Isomeric SMILES

COC(=O)[C@@]12[C@@H](C=CC=C1C(=O)C3=C(O2)C=C(C=C3O)CO)O

InChI

InChI=1S/C16H14O7/c1-22-15(21)16-9(3-2-4-12(16)19)14(20)13-10(18)5-8(7-17)6-11(13)23-16/h2-6,12,17-19H,7H2,1H3/t12-,16+/m1/s1