4-oxidanyl-3,5-bis[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy]benzoic acid

Systemtic Name: 4-oxidanyl-3,5-bis[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy]benzoic acid Openeye Name: 4-hydroxy-3,5-bis[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy]benzoic acid CAS Name: 4-hydroxy-3,5-bis[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]benzoic acid IUPAC Name: 4-hydroxy-3,5-bis[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy]benzoic acid Traditional Name: 4-hydroxy-3,5-bis[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy]benzoic acid Formula: C35H42O23 MolecularWeight: 830.69418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2=CC(=CC(=C2O)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)OC2=CC(=CC(=C2O)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C35H42O23/c1-13(36)47-11-24-27(49-15(3)38)29(51-17(5)40)31(53-19(7)42)34(57-24)55-22-9-21(33(45)46)10-23(26(22)44)56-35-32(54-20(8)43)30(52-18(6)41)28(50-16(4)39)25(58-35)12-48-14(2)37/h9-10,24-25,27-32,34-35,44H,11-12H2,1-8H3,(H,45,46)