7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3,5,8-trimethoxy-1-methyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid

Systemtic Name: 7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3,5,8-trimethoxy-1-methyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid Openeye Name: 3,5,8-trimethoxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]anthracene-2-carboxylic acid CAS Name: 3,5,8-trimethoxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-anthracenecarboxylic acid IUPAC Name: 3,5,8-trimethoxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid Traditional Name: 9,10-diketo-3,5,8-trimethoxy-1-methyl-7-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)anthracene-2-carboxylic acid Formula: C25H26O12 MolecularWeight: 518.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1C(=O)O)OC)C(=O)C3=C(C=C(C(=C3C2=O)OC)C4C(C(C(C(O4)CO)O)O)O)OC

Isomeric SMILES

CC1=C2C(=CC(=C1C(=O)O)OC)C(=O)C3=C(C=C(C(=C3C2=O)OC)C4C(C(C(C(O4)CO)O)O)O)OC

InChI

InChI=1S/C25H26O12/c1-8-14-9(5-11(34-2)15(8)25(32)33)18(27)16-12(35-3)6-10(23(36-4)17(16)20(14)29)24-22(31)21(30)19(28)13(7-26)37-24/h5-6,13,19,21-22,24,26,28,30-31H,7H2,1-4H3,(H,32,33)