2-bromoethyl [3-octadecoxy-2-(1,3-thiazol-2-yloxy)propyl] hydrogen phosphate

Systemtic Name: 2-bromoethyl [3-octadecoxy-2-(1,3-thiazol-2-yloxy)propyl] hydrogen phosphate Openeye Name: 2-bromoethyl (3-octadecoxy-2-thiazol-2-yloxy-propyl) hydrogen phosphate CAS Name: 2-bromoethyl [3-octadecoxy-2-(2-thiazolyloxy)propyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [3-octadecoxy-2-(1,3-thiazol-2-yloxy)propyl] hydrogen phosphate Traditional Name: 2-bromoethyl (3-stearyloxy-2-thiazol-2-yloxy-propyl) hydrogen phosphate Formula: C26H49BrNO6PS MolecularWeight: 614.613121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCBr)OC1=NC=CS1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCBr)OC1=NC=CS1

InChI

InChI=1S/C26H49BrNO6PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-23-25(34-26-28-19-22-36-26)24-33-35(29,30)32-21-18-27/h19,22,25H,2-18,20-21,23-24H2,1H3,(H,29,30)