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

Systemtic Name: [(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-oxan-4-yl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyl)oxy-tetrahydropyran-4-yl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-4-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-2-galloyloxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C20H20O14 MolecularWeight: 484.3644

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(OC(C2O)OC(=O)C3=CC(=C(C(=C3)O)O)O)CO)O

Isomeric SMILES

C1=C(C=C(C(=C1O)O)O)C(=O)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OC(=O)C3=CC(=C(C(=C3)O)O)O)CO)O

InChI

InChI=1S/C20H20O14/c21-5-12-15(28)17(33-18(30)6-1-8(22)13(26)9(23)2-6)16(29)20(32-12)34-19(31)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16-,17+,20+/m1/s1