2-bromoethyl [(2R)-3-(16-phenylhexadecoxy)-2-[(triphenylmethyl)amino]propyl] hydrogen phosphate

Systemtic Name: 2-bromoethyl [(2R)-3-(16-phenylhexadecoxy)-2-[(triphenylmethyl)amino]propyl] hydrogen phosphate Openeye Name: 2-bromoethyl [(2R)-3-(16-phenylhexadecoxy)-2-(tritylamino)propyl] hydrogen phosphate CAS Name: 2-bromoethyl [(2R)-3-(16-phenylhexadecoxy)-2-[(triphenylmethyl)amino]propyl] hydrogen phosphate IUPAC Name: 2-bromoethyl [(2R)-3-(16-phenylhexadecoxy)-2-(tritylamino)propyl] hydrogen phosphate Traditional Name: 2-bromoethyl [(2R)-3-(16-phenylhexadecoxy)-2-(tritylamino)propyl] hydrogen phosphate Formula: C46H63BrNO5P MolecularWeight: 820.873881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCBr)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCBr)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C46H63BrNO5P/c47-36-38-52-54(49,50)53-40-45(48-46(42-30-20-14-21-31-42,43-32-22-15-23-33-43)44-34-24-16-25-35-44)39-51-37-26-12-10-8-6-4-2-1-3-5-7-9-11-17-27-41-28-18-13-19-29-41/h13-16,18-25,28-35,45,48H,1-12,17,26-27,36-40H2,(H,49,50)/t45-/m1/s1