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

Systemtic Name: methyl (4R,4aS)-4-acetyloxy-6-methyl-8-oxidanyl-9-oxidanylidene-4H-xanthene-4a-carboxylate Openeye Name: methyl (4R,4aS)-4-acetoxy-8-hydroxy-6-methyl-9-oxo-4H-xanthene-4a-carboxylate CAS Name: (4R,4aS)-4-acetyloxy-8-hydroxy-6-methyl-9-oxo-4H-xanthene-4a-carboxylic acid methyl ester IUPAC Name: methyl (4R,4aS)-4-acetyloxy-8-hydroxy-6-methyl-9-oxo-4H-xanthene-4a-carboxylate Traditional Name: (4R,4aS)-4-acetoxy-8-hydroxy-9-keto-6-methyl-4H-xanthene-4a-carboxylic acid methyl ester Formula: C18H16O7 MolecularWeight: 344.31544

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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)OC(=O)C

Isomeric SMILES

CC1=CC2=C(C(=C1)O)C(=O)C3=CC=C[C@H]([C@]3(O2)C(=O)OC)OC(=O)C

InChI

InChI=1S/C18H16O7/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/h4-8,14,20H,1-3H3/t14-,18+/m1/s1