2-bromoethyl [3-(dodecanoylamino)-2-undecoxy-propyl] hydrogen phosphate

Systemtic Name: 2-bromoethyl [3-(dodecanoylamino)-2-undecoxy-propyl] hydrogen phosphate Openeye Name: 2-bromoethyl [3-(dodecanoylamino)-2-undecoxy-propyl] hydrogen phosphate CAS Name: 2-bromoethyl [3-(1-oxododecylamino)-2-undecoxypropyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [3-(dodecanoylamino)-2-undecoxypropyl] hydrogen phosphate Traditional Name: 2-bromoethyl [3-(lauroylamino)-2-undecoxy-propyl] hydrogen phosphate Formula: C28H57BrNO6P MolecularWeight: 614.633041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCCBr)OCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCCBr)OCCCCCCCCCCC

InChI

InChI=1S/C28H57BrNO6P/c1-3-5-7-9-11-13-15-17-19-21-28(31)30-25-27(26-36-37(32,33)35-24-22-29)34-23-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H,30,31)(H,32,33)