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

Systemtic Name: 3,4-bis[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy]benzoic acid Openeye Name: 3,4-bis[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy]benzoic acid CAS Name: 3,4-bis[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]benzoic acid IUPAC Name: 3,4-bis[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy]benzoic acid Traditional Name: 3,4-bis[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy]benzoic acid Formula: C35H42O22 MolecularWeight: 814.69478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)C(=O)O)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)C(=O)O)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C35H42O22/c1-14(36)46-12-25-27(48-16(3)38)29(50-18(5)40)31(52-20(7)42)34(56-25)54-23-10-9-22(33(44)45)11-24(23)55-35-32(53-21(8)43)30(51-19(6)41)28(49-17(4)39)26(57-35)13-47-15(2)37/h9-11,25-32,34-35H,12-13H2,1-8H3,(H,44,45)