[1-[3-(dimethylamino)propoxy-oxidanyl-phosphanyl]oxy-3-(2-hexadecylphenoxy)propan-2-yl] propanoate

Systemtic Name: [1-[3-(dimethylamino)propoxy-oxidanyl-phosphanyl]oxy-3-(2-hexadecylphenoxy)propan-2-yl] propanoate Openeye Name: [1-[[3-(dimethylamino)propoxy-hydroxy-phosphanyl]oxymethyl]-2-(2-hexadecylphenoxy)ethyl] propanoate CAS Name: propanoic acid [1-[3-(dimethylamino)propoxy-hydroxyphosphino]oxy-3-(2-hexadecylphenoxy)propan-2-yl] ester IUPAC Name: [1-[3-(dimethylamino)propoxy-hydroxyphosphanyl]oxy-3-(2-hexadecylphenoxy)propan-2-yl] propanoate Traditional Name: propionic acid [1-[(2-cetylphenoxy)methyl]-2-[3-(dimethylamino)propoxy-hydroxy-phosphino]oxy-ethyl] ester Formula: C33H60NO6P MolecularWeight: 597.806361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1OCC(COP(O)OCCCN(C)C)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1OCC(COP(O)OCCCN(C)C)OC(=O)CC

InChI

InChI=1S/C33H60NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-24-20-21-25-32(30)37-28-31(40-33(35)6-2)29-39-41(36)38-27-22-26-34(3)4/h20-21,24-25,31,36H,5-19,22-23,26-29H2,1-4H3