[(2R,3S,4S,5R,6R)-5-(dioxidanyl)-3-[2-(hydroxymethyl)phenoxy]-4,6-bis(oxidanyl)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4S,5R,6R)-5-(dioxidanyl)-3-[2-(hydroxymethyl)phenoxy]-4,6-bis(oxidanyl)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4S,5R,6R)-5-hydroperoxy-4,6-dihydroxy-3-[2-(hydroxymethyl)phenoxy]tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6R)-5-hydroperoxy-4,6-dihydroxy-3-[2-(hydroxymethyl)phenoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-5-hydroperoxy-4,6-dihydroxy-3-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6R)-5-hydroperoxy-4,6-dihydroxy-3-(2-methylolphenoxy)tetrahydropyran-2-yl]methyl ester Formula: C20H22O9 MolecularWeight: 406.38328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)O)OO)O)OC3=CC=CC=C3CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)OO)O)OC3=CC=CC=C3CO

InChI

InChI=1S/C20H22O9/c21-10-13-8-4-5-9-14(13)27-17-15(28-20(24)18(29-25)16(17)22)11-26-19(23)12-6-2-1-3-7-12/h1-9,15-18,20-22,24-25H,10-11H2/t15-,16+,17-,18-,20-/m1/s1