2-[(2R,3R,4R,5R)-3,4,5-triacetyloxy-6-methoxycarbonyl-oxan-2-yl]oxybenzoic acid

Systemtic Name: 2-[(2R,3R,4R,5R)-3,4,5-triacetyloxy-6-methoxycarbonyl-oxan-2-yl]oxybenzoic acid Openeye Name: 2-[(2R,3R,4R,5R)-3,4,5-triacetoxy-6-methoxycarbonyl-tetrahydropyran-2-yl]oxybenzoic acid CAS Name: 2-[[(2R,3R,4R,5R)-3,4,5-triacetyloxy-6-methoxycarbonyl-2-oxanyl]oxy]benzoic acid IUPAC Name: 2-[(2R,3R,4R,5R)-3,4,5-triacetyloxy-6-methoxycarbonyloxan-2-yl]oxybenzoic acid Traditional Name: 2-[(2R,3R,4R,5R)-3,4,5-triacetoxy-6-carbomethoxy-tetrahydropyran-2-yl]oxybenzoic acid Formula: C20H22O12 MolecularWeight: 454.38148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)OC2=CC=CC=C2C(=O)O)C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H]1[C@H]([C@H](OC([C@@H]1OC(=O)C)C(=O)OC)OC2=CC=CC=C2C(=O)O)OC(=O)C

InChI

InChI=1S/C20H22O12/c1-9(21)28-14-15(29-10(2)22)17(30-11(3)23)20(32-16(14)19(26)27-4)31-13-8-6-5-7-12(13)18(24)25/h5-8,14-17,20H,1-4H3,(H,24,25)/t14-,15-,16?,17-,20+/m1/s1