[1-[3-(dimethylamino)propoxy-oxidanyl-phosphanyl]oxy-3-(4-dodecylphenoxy)propan-2-yl] propanoate

Systemtic Name: [1-[3-(dimethylamino)propoxy-oxidanyl-phosphanyl]oxy-3-(4-dodecylphenoxy)propan-2-yl] propanoate Openeye Name: [1-[[3-(dimethylamino)propoxy-hydroxy-phosphanyl]oxymethyl]-2-(4-dodecylphenoxy)ethyl] propanoate CAS Name: propanoic acid [1-[3-(dimethylamino)propoxy-hydroxyphosphino]oxy-3-(4-dodecylphenoxy)propan-2-yl] ester IUPAC Name: [1-[3-(dimethylamino)propoxy-hydroxyphosphanyl]oxy-3-(4-dodecylphenoxy)propan-2-yl] propanoate Traditional Name: propionic acid [1-[[3-(dimethylamino)propoxy-hydroxy-phosphino]oxymethyl]-2-(4-laurylphenoxy)ethyl] ester Formula: C29H52NO6P MolecularWeight: 541.700041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)OCC(COP(O)OCCCN(C)C)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)OCC(COP(O)OCCCN(C)C)OC(=O)CC

InChI

InChI=1S/C29H52NO6P/c1-5-7-8-9-10-11-12-13-14-15-17-26-18-20-27(21-19-26)33-24-28(36-29(31)6-2)25-35-37(32)34-23-16-22-30(3)4/h18-21,28,32H,5-17,22-25H2,1-4H3