[3-[acetyloxymethoxy-[(1S,2S,3S,4S,5R,6S)-3,4,5-tris[bis(acetyloxymethoxy)phosphoryloxy]-2-butanoyloxy-6-oxidanyl-cyclohexyl]oxy-phosphoryl]oxy-2-octanoyloxy-propyl] octanoate

Systemtic Name: [3-[acetyloxymethoxy-[(1S,2S,3S,4S,5R,6S)-3,4,5-tris[bis(acetyloxymethoxy)phosphoryloxy]-2-butanoyloxy-6-oxidanyl-cyclohexyl]oxy-phosphoryl]oxy-2-octanoyloxy-propyl] octanoate Openeye Name: [3-[acetoxymethoxy-[(1S,2S,3S,4S,5R,6S)-3,4,5-tris[bis(acetoxymethoxy)phosphoryloxy]-2-butanoyloxy-6-hydroxy-cyclohexoxy]phosphoryl]oxy-2-octanoyloxy-propyl] octanoate CAS Name: octanoic acid [3-[acetyloxymethoxy-[(1S,2S,3R,4S,5S,6S)-3,4,5-tris[bis(acetyloxymethoxy)phosphoryloxy]-2-hydroxy-6-(1-oxobutoxy)cyclohexyl]oxyphosphoryl]oxy-2-(1-oxooctoxy)propyl] ester IUPAC Name: [3-[acetyloxymethoxy-[(1S,2S,3S,4S,5R,6S)-3,4,5-tris[bis(acetyloxymethoxy)phosphoryloxy]-2-butanoyloxy-6-hydroxycyclohexyl]oxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate Traditional Name: caprylic acid [3-[acetoxymethoxy-[(1S,2S,3S,4S,5R,6S)-3,4,5-tris[bis(acetoxymethoxy)phosphoryloxy]-2-butyryloxy-6-hydroxy-cyclohexoxy]phosphoryl]oxy-2-caprylyloxy-propyl] ester Formula: C50H84O37P4 MolecularWeight: 1401.074804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(COP(=O)(OCOC(=O)C)OC1C(C(C(C(C1OC(=O)CCC)OP(=O)(OCOC(=O)C)OCOC(=O)C)OP(=O)(OCOC(=O)C)OCOC(=O)C)OP(=O)(OCOC(=O)C)OCOC(=O)C)O)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OCC(COP(=O)(OCOC(=O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1OC(=O)CCC)OP(=O)(OCOC(=O)C)OCOC(=O)C)OP(=O)(OCOC(=O)C)OCOC(=O)C)OP(=O)(OCOC(=O)C)OCOC(=O)C)O)OC(=O)CCCCCCC

InChI

InChI=1S/C50H84O37P4/c1-11-14-16-18-20-23-42(58)66-25-41(82-44(60)24-21-19-17-15-12-2)26-74-88(62,75-27-67-34(4)51)84-46-45(61)47(85-89(63,76-28-68-35(5)52)77-29-69-36(6)53)49(86-90(64,78-30-70-37(7)54)79-31-71-38(8)55)50(48(46)83-43(59)22-13-3)87-91(65,80-32-72-39(9)56)81-33-73-40(10)57/h41,45-50,61H,11-33H2,1-10H3/t41?,45-,46-,47+,48-,49-,50-,88?/m0/s1