[(2R)-1-[2-bromoethyloxy(phenylmethoxy)phosphoryl]oxy-3-oxidanyl-propan-2-yl] hexadecanoate

Systemtic Name: [(2R)-1-[2-bromoethyloxy(phenylmethoxy)phosphoryl]oxy-3-oxidanyl-propan-2-yl] hexadecanoate Openeye Name: [(1R)-1-[[benzyloxy(2-bromoethoxy)phosphoryl]oxymethyl]-2-hydroxy-ethyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-1-[2-bromoethoxy(phenylmethoxy)phosphoryl]oxy-3-hydroxypropan-2-yl] ester IUPAC Name: [(2R)-1-[2-bromoethoxy(phenylmethoxy)phosphoryl]oxy-3-hydroxypropan-2-yl] hexadecanoate Traditional Name: palmitic acid [(1R)-1-[[benzoxy(2-bromoethoxy)phosphoryl]oxymethyl]-2-hydroxy-ethyl] ester Formula: C28H48BrO7P MolecularWeight: 607.554281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(OCCBr)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(OCCBr)OCC1=CC=CC=C1

InChI

InChI=1S/C28H48BrO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(31)36-27(23-30)25-35-37(32,33-22-21-29)34-24-26-18-15-14-16-19-26/h14-16,18-19,27,30H,2-13,17,20-25H2,1H3/t27-,37?/m1/s1