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

Systemtic Name: 2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-1-oxidanyl-anthracene-9,10-dione Openeye Name: 1-hydroxy-2-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-anthracene-9,10-dione CAS Name: 1-hydroxy-2-[[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]anthracene-9,10-dione IUPAC Name: 1-hydroxy-2-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyanthracene-9,10-dione Traditional Name: 1-hydroxy-2-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]oxy-9,10-anthraquinone Formula: C20H18O9 MolecularWeight: 402.35152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)OC4C(C(C(OC4O)CO)O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@H](O[C@H]4O)CO)O)O)O

InChI

InChI=1S/C20H18O9/c21-7-12-17(25)18(26)19(20(27)29-12)28-11-6-5-10-13(16(11)24)15(23)9-4-2-1-3-8(9)14(10)22/h1-6,12,17-21,24-27H,7H2/t12-,17-,18+,19-,20-/m1/s1