11-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylundecanoic acid

Systemtic Name: 11-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylundecanoic acid Openeye Name: 11-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanylundecanoic acid CAS Name: 11-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]undecanoic acid IUPAC Name: 11-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylundecanoic acid Traditional Name: 11-[[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]undecanoic acid Formula: C25H40O11S MolecularWeight: 548.6435

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SCCCCCCCCCCC(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SCCCCCCCCCCC(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H40O11S/c1-16(26)32-15-20-22(33-17(2)27)23(34-18(3)28)24(35-19(4)29)25(36-20)37-14-12-10-8-6-5-7-9-11-13-21(30)31/h20,22-25H,5-15H2,1-4H3,(H,30,31)/t20-,22-,23+,24-,25+/m1/s1