6-methyl-1-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 6-methyl-1-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,6-dihydroxy-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-anthracene-9,10-dione CAS Name: 1,6-dihydroxy-3-methyl-8-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]anthracene-9,10-dione IUPAC Name: 1,6-dihydroxy-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-9,10-dione Traditional Name: 1,6-dihydroxy-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9,10-anthraquinone Formula: C21H20O9 MolecularWeight: 416.3781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2=C3C(=CC(=C2)O)C(=O)C4=CC(=CC(=C4C3=O)O)C)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C3C(=CC(=C2)O)C(=O)C4=CC(=CC(=C4C3=O)O)C)O)O)O

InChI

InChI=1S/C21H20O9/c1-7-3-10-14(12(23)4-7)18(26)15-11(17(10)25)5-9(22)6-13(15)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21-/m0/s1