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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)OC4C(C(C(C(O4)CO)O)O)O)O

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)OC4C(C(C(C(O4)CO)O)O)O)O

InChI

InChI=1S/C21H20O9/c1-8-5-10-14(11(23)6-8)18(26)15-9(16(10)24)3-2-4-12(15)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3