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

Systemtic Name: 1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methoxy-6-methyl-8-oxidanyl-anthracene-9,10-dione Openeye Name: 1-hydroxy-6-methoxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-anthracene-9,10-dione CAS Name: 1-hydroxy-6-methoxy-3-methyl-8-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]anthracene-9,10-dione IUPAC Name: 1-hydroxy-6-methoxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione Traditional Name: 1-hydroxy-6-methoxy-3-methyl-8-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-9,10-anthraquinone Formula: C22H22O10 MolecularWeight: 446.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)OC4C(C(C(C(O4)CO)O)O)O)OC)O

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)OC4C(C(C(C(O4)CO)O)O)O)OC)O

InChI

InChI=1S/C22H22O10/c1-8-3-10-15(12(24)4-8)19(27)16-11(17(10)25)5-9(30-2)6-13(16)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3