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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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