methyl 4-acetyloxy-6-methyl-8-oxidanyl-9-oxidanylidene-4H-xanthene-4a-carboxylate; methyl 6-methyl-4,8-bis(oxidanyl)-9-oxidanylidene-4H-xanthene-4a-carboxylate

Systemtic Name: methyl 4-acetyloxy-6-methyl-8-oxidanyl-9-oxidanylidene-4H-xanthene-4a-carboxylate; methyl 6-methyl-4,8-bis(oxidanyl)-9-oxidanylidene-4H-xanthene-4a-carboxylate Openeye Name: methyl 4-acetoxy-8-hydroxy-6-methyl-9-oxo-4H-xanthene-4a-carboxylate; methyl 4,8-dihydroxy-6-methyl-9-oxo-4H-xanthene-4a-carboxylate CAS Name: 4-acetyloxy-8-hydroxy-6-methyl-9-oxo-4H-xanthene-4a-carboxylic acid methyl ester; 4,8-dihydroxy-6-methyl-9-oxo-4H-xanthene-4a-carboxylic acid methyl ester IUPAC Name: methyl 4-acetyloxy-8-hydroxy-6-methyl-9-oxo-4H-xanthene-4a-carboxylate; methyl 4,8-dihydroxy-6-methyl-9-oxo-4H-xanthene-4a-carboxylate Traditional Name: 4-acetoxy-8-hydroxy-9-keto-6-methyl-4H-xanthene-4a-carboxylic acid methyl ester; 4,8-dihydroxy-9-keto-6-methyl-4H-xanthene-4a-carboxylic acid methyl ester Formula: C34H30O13 MolecularWeight: 646.5942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC(C3(O2)C(=O)OC)O.CC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC(C3(O2)C(=O)OC)OC(=O)C

Isomeric SMILES

CC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC(C3(O2)C(=O)OC)O.CC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC(C3(O2)C(=O)OC)OC(=O)C

InChI

InChI=1S/C18H16O7.C16H14O6/c1-9-7-12(20)15-13(8-9)25-18(17(22)23-3)11(16(15)21)5-4-6-14(18)24-10(2)19;1-8-6-10(17)13-11(7-8)22-16(15(20)21-2)9(14(13)19)4-3-5-12(16)18/h4-8,14,20H,1-3H3;3-7,12,17-18H,1-2H3