[1-[3-(methylamino)propoxy-oxidanyl-phosphanyl]oxy-3-(2-octadecoxyphenyl)propan-2-yl] ethanoate

Systemtic Name: [1-[3-(methylamino)propoxy-oxidanyl-phosphanyl]oxy-3-(2-octadecoxyphenyl)propan-2-yl] ethanoate Openeye Name: [1-[[hydroxy-[3-(methylamino)propoxy]phosphanyl]oxymethyl]-2-(2-octadecoxyphenyl)ethyl] acetate CAS Name: acetic acid [1-[hydroxy-[3-(methylamino)propoxy]phosphino]oxy-3-(2-octadecoxyphenyl)propan-2-yl] ester IUPAC Name: [1-[hydroxy-[3-(methylamino)propoxy]phosphanyl]oxy-3-(2-octadecoxyphenyl)propan-2-yl] acetate Traditional Name: acetic acid [1-[[hydroxy-[3-(methylamino)propoxy]phosphino]oxymethyl]-2-(2-stearyloxyphenyl)ethyl] ester Formula: C33H60NO6P MolecularWeight: 597.806361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(COP(O)OCCCNC)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(COP(O)OCCCNC)OC(=O)C

InChI

InChI=1S/C33H60NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-37-33-24-20-19-23-31(33)28-32(40-30(2)35)29-39-41(36)38-27-22-25-34-3/h19-20,23-24,32,34,36H,4-18,21-22,25-29H2,1-3H3