[(2R)-2-hexadecanoyloxy-3-[phenoxy-(4-phenylmethoxycyclohexyl)oxy-phosphoryl]oxy-propyl] hexadecanoate

Systemtic Name: [(2R)-2-hexadecanoyloxy-3-[phenoxy-(4-phenylmethoxycyclohexyl)oxy-phosphoryl]oxy-propyl] hexadecanoate Openeye Name: [(2R)-3-[(4-benzyloxycyclohexoxy)-phenoxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-2-(1-oxohexadecoxy)-3-[phenoxy-(4-phenylmethoxycyclohexyl)oxyphosphoryl]oxypropyl] ester IUPAC Name: [(2R)-2-hexadecanoyloxy-3-[phenoxy-(4-phenylmethoxycyclohexyl)oxyphosphoryl]oxypropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-3-[(4-benzoxycyclohexoxy)-phenoxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C54H89O9P MolecularWeight: 913.252821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OC1CCC(CC1)OCC2=CC=CC=C2)OC3=CC=CC=C3)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC1CCC(CC1)OCC2=CC=CC=C2)OC3=CC=CC=C3)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C54H89O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-39-53(55)59-46-52(61-54(56)40-34-26-24-22-20-18-16-14-12-10-8-6-4-2)47-60-64(57,62-50-37-31-28-32-38-50)63-51-43-41-49(42-44-51)58-45-48-35-29-27-30-36-48/h27-32,35-38,49,51-52H,3-26,33-34,39-47H2,1-2H3/t49?,51?,52-,64?/m1/s1