[(2R,3S,5R,6S)-3,5,6-tris[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [(2R,3S,5R,6S)-3,5,6-tris[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2R,3S,5R,6S)-3,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,5R,6S)-3,5,6-tris[oxo-(3,4,5-trihydroxyphenyl)methoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,5R,6S)-3,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,5R,6S)-3,5,6-trigalloyloxytetrahydropyran-2-yl]methyl ester Formula: C34H28O21 MolecularWeight: 772.57352

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC(C1OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)COC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)COC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O

InChI

InChI=1S/C34H28O21/c35-15-1-11(2-16(36)26(15)43)30(47)51-10-25-23(52-31(48)12-3-17(37)27(44)18(38)4-12)9-24(53-32(49)13-5-19(39)28(45)20(40)6-13)34(54-25)55-33(50)14-7-21(41)29(46)22(42)8-14/h1-8,23-25,34-46H,9-10H2/t23-,24+,25+,34-/m0/s1