[3-[(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octanoyloxy-propyl] octanoate

Systemtic Name: [3-[(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octanoyloxy-propyl] octanoate Openeye Name: [2-octanoyloxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propyl] octanoate CAS Name: octanoic acid [2-(1-oxooctoxy)-3-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propyl] ester IUPAC Name: [2-octanoyloxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] octanoate Traditional Name: caprylic acid [2-caprylyloxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-propyl] ester Formula: C25H46O10 MolecularWeight: 506.62674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OCC(COC1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCC

InChI

InChI=1S/C25H46O10/c1-3-5-7-9-11-13-20(27)32-16-18(34-21(28)14-12-10-8-6-4-2)17-33-25-24(31)23(30)22(29)19(15-26)35-25/h18-19,22-26,29-31H,3-17H2,1-2H3/t18?,19-,22+,23+,24-,25?/m1/s1