[(2S)-3-[[4,5-bis[bis(phenylmethoxy)phosphoryloxy]-2-oxidanyl-3,6-bis(phenylmethoxy)cyclohexyl]oxy-phenylmethoxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [(2S)-3-[[4,5-bis[bis(phenylmethoxy)phosphoryloxy]-2-oxidanyl-3,6-bis(phenylmethoxy)cyclohexyl]oxy-phenylmethoxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [(2S)-3-[benzyloxy-[2,5-dibenzyloxy-3,4-bis(dibenzyloxyphosphoryloxy)-6-hydroxy-cyclohexoxy]phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2S)-3-[[4,5-bis[bis(phenylmethoxy)phosphoryloxy]-2-hydroxy-3,6-bis(phenylmethoxy)cyclohexyl]oxy-phenylmethoxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2S)-3-[[4,5-bis[bis(phenylmethoxy)phosphoryloxy]-2-hydroxy-3,6-bis(phenylmethoxy)cyclohexyl]oxy-phenylmethoxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [(2S)-3-[benzoxy-[2,5-dibenzoxy-3,4-bis(dibenzoxyphosphoryloxy)-6-hydroxy-cyclohexoxy]phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C90H123O19P3 MolecularWeight: 1601.849503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC1=CC=CC=C1)OC2C(C(C(C(C2OCC3=CC=CC=C3)OP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(OCC1=CC=CC=C1)OC2C(C(C(C(C2OCC3=CC=CC=C3)OP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C90H123O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-48-64-83(91)97-73-82(106-84(92)65-49-26-24-22-20-18-16-14-12-10-8-6-4-2)74-105-112(96,104-72-81-62-46-33-47-63-81)107-87-85(93)86(98-66-75-50-34-27-35-51-75)89(108-110(94,100-68-77-54-38-29-39-55-77)101-69-78-56-40-30-41-57-78)90(88(87)99-67-76-52-36-28-37-53-76)109-111(95,102-70-79-58-42-31-43-59-79)103-71-80-60-44-32-45-61-80/h27-47,50-63,82,85-90,93H,3-26,48-49,64-74H2,1-2H3/t82-,85?,86?,87?,88?,89?,90?,112?/m0/s1