S-[(2R)-1-[2-bromoethyloxy(oxidanyl)phosphoryl]oxy-3-hexadecoxy-propan-2-yl] octanethioate

Systemtic Name: S-[(2R)-1-[2-bromoethyloxy(oxidanyl)phosphoryl]oxy-3-hexadecoxy-propan-2-yl] octanethioate Openeye Name: S-[(1R)-1-[[2-bromoethoxy(hydroxy)phosphoryl]oxymethyl]-2-hexadecoxy-ethyl] octanethioate CAS Name: octanethioic acid S-[(2R)-1-[2-bromoethoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] ester IUPAC Name: S-[(2R)-1-[2-bromoethoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] octanethioate Traditional Name: octanethioic acid S-[(1R)-1-[[2-bromoethoxy(hydroxy)phosphoryl]oxymethyl]-2-cetyloxy-ethyl] ester Formula: C29H58BrO6PS MolecularWeight: 645.709981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCBr)SC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCBr)SC(=O)CCCCCCC

InChI

InChI=1S/C29H58BrO6PS/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-24-34-26-28(27-36-37(32,33)35-25-23-30)38-29(31)22-20-18-8-6-4-2/h28H,3-27H2,1-2H3,(H,32,33)/t28-/m1/s1