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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C3=C(C=CC=C3O)OC2(C1O)C(=O)OC)O

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C3=C(C=CC=C3O)O[C@]2([C@@H]1O)C(=O)OC)O

InChI

InChI=1S/C16H16O7/c1-7-6-9(18)12-13(19)11-8(17)4-3-5-10(11)23-16(12,14(7)20)15(21)22-2/h3-5,7,14,17,19-20H,6H2,1-2H3/t7-,14+,16+/m0/s1