[(2R)-3-phosphonooxy-2-(6-pyren-1-ylhexanoyloxy)propyl] hexadecanoate

Systemtic Name: [(2R)-3-phosphonooxy-2-(6-pyren-1-ylhexanoyloxy)propyl] hexadecanoate Openeye Name: [(2R)-3-phosphonooxy-2-(6-pyren-1-ylhexanoyloxy)propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-2-[1-oxo-6-(1-pyrenyl)hexoxy]-3-phosphonooxypropyl] ester IUPAC Name: [(2R)-3-phosphonooxy-2-(6-pyren-1-ylhexanoyloxy)propyl] hexadecanoate Traditional Name: palmitic acid [(2R)-3-phosphonooxy-2-(6-pyren-1-ylhexanoyloxy)propyl] ester Formula: C41H57O8P MolecularWeight: 708.860241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C41H57O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-38(42)47-30-36(31-48-50(44,45)46)49-39(43)23-17-14-15-19-32-24-25-35-27-26-33-20-18-21-34-28-29-37(32)41(35)40(33)34/h18,20-21,24-29,36H,2-17,19,22-23,30-31H2,1H3,(H2,44,45,46)/t36-/m1/s1