(5-bromanyl-2-methoxy-2-methyl-4-phosphonooxy-pentyl) N-methyl-N-octadecyl-carbamate

Systemtic Name: (5-bromanyl-2-methoxy-2-methyl-4-phosphonooxy-pentyl) N-methyl-N-octadecyl-carbamate Openeye Name: (5-bromo-2-methoxy-2-methyl-4-phosphonooxy-pentyl) N-methyl-N-octadecyl-carbamate CAS Name: N-methyl-N-octadecylcarbamic acid (5-bromo-2-methoxy-2-methyl-4-phosphonooxypentyl) ester IUPAC Name: (5-bromo-2-methoxy-2-methyl-4-phosphonooxypentyl) N-methyl-N-octadecylcarbamate Traditional Name: N-methyl-N-stearyl-carbamic acid (5-bromo-2-methoxy-2-methyl-4-phosphonooxy-pentyl) ester Formula: C27H55BrNO7P MolecularWeight: 616.605861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(CC(CBr)OP(=O)(O)O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(CC(CBr)OP(=O)(O)O)OC

InChI

InChI=1S/C27H55BrNO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(3)26(30)35-24-27(2,34-4)22-25(23-28)36-37(31,32)33/h25H,5-24H2,1-4H3,(H2,31,32,33)