2-oxidanyl-3-[[5-oxidanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxy-phenyl]methoxy]benzoic acid

Systemtic Name: 2-oxidanyl-3-[[5-oxidanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxy-phenyl]methoxy]benzoic acid Openeye Name: 3-[[2-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-phenyl]methoxy]-2-hydroxy-benzoic acid CAS Name: 3-[[2-[[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxy-2-oxanyl]oxy]-5-hydroxyphenyl]methoxy]-2-hydroxybenzoic acid IUPAC Name: 3-[[2-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyphenyl]methoxy]-2-hydroxybenzoic acid Traditional Name: 3-[2-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-benzyl]oxy-2-hydroxy-benzoic acid Formula: C27H26O12 MolecularWeight: 542.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)O)COC4=CC=CC(=C4O)C(=O)O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C(C=C3)O)COC4=CC=CC(=C4O)C(=O)O)O)O)O

InChI

InChI=1S/C27H26O12/c28-16-9-10-18(15(11-16)12-36-19-8-4-7-17(21(19)29)25(33)34)38-27-24(32)23(31)22(30)20(39-27)13-37-26(35)14-5-2-1-3-6-14/h1-11,20,22-24,27-32H,12-13H2,(H,33,34)/t20-,22-,23+,24-,27-/m1/s1