methyl (4S,4aR)-6-methyl-4,8,9-tris(oxidanyl)-1-oxidanylidene-3,4-dihydro-2H-xanthene-4a-carboxylate

Systemtic Name: methyl (4S,4aR)-6-methyl-4,8,9-tris(oxidanyl)-1-oxidanylidene-3,4-dihydro-2H-xanthene-4a-carboxylate Openeye Name: methyl (4S,4aR)-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate CAS Name: (4S,4aR)-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylic acid methyl ester IUPAC Name: methyl (4S,4aR)-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate Traditional Name: (4S,4aR)-4,8,9-trihydroxy-1-keto-6-methyl-3,4-dihydro-2H-xanthene-4a-carboxylic acid methyl ester Formula: C16H16O7 MolecularWeight: 320.29404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)O)C(=C3C(=O)CCC(C3(O2)C(=O)OC)O)O

Isomeric SMILES

CC1=CC2=C(C(=C1)O)C(=C3C(=O)CC[C@@H]([C@@]3(O2)C(=O)OC)O)O

InChI

InChI=1S/C16H16O7/c1-7-5-9(18)12-10(6-7)23-16(15(21)22-2)11(19)4-3-8(17)13(16)14(12)20/h5-6,11,18-20H,3-4H2,1-2H3/t11-,16-/m0/s1