2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-benzoic acid

Systemtic Name: 2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoic acid CAS Name: 2-hydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzoic acid IUPAC Name: 2-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid Traditional Name: 2-hydroxy-6-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-benzoic acid Formula: C13H16O9 MolecularWeight: 316.26074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)O

InChI

InChI=1S/C13H16O9/c14-4-7-9(16)10(17)11(18)13(22-7)21-6-3-1-2-5(15)8(6)12(19)20/h1-3,7,9-11,13-18H,4H2,(H,19,20)