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

Systemtic Name: [1-[3-(dimethylamino)propoxy-oxidanyl-phosphanyl]oxy-3-(3-tetradecylphenoxy)propan-2-yl] propanoate Openeye Name: [1-[[3-(dimethylamino)propoxy-hydroxy-phosphanyl]oxymethyl]-2-(3-tetradecylphenoxy)ethyl] propanoate CAS Name: propanoic acid [1-[3-(dimethylamino)propoxy-hydroxyphosphino]oxy-3-(3-tetradecylphenoxy)propan-2-yl] ester IUPAC Name: [1-[3-(dimethylamino)propoxy-hydroxyphosphanyl]oxy-3-(3-tetradecylphenoxy)propan-2-yl] propanoate Traditional Name: propionic acid [1-[[3-(dimethylamino)propoxy-hydroxy-phosphino]oxymethyl]-2-(3-myristylphenoxy)ethyl] ester Formula: C31H56NO6P MolecularWeight: 569.753201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(O)OCCCN(C)C)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(O)OCCCN(C)C)OC(=O)CC

InChI

InChI=1S/C31H56NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-20-28-21-18-22-29(25-28)35-26-30(38-31(33)6-2)27-37-39(34)36-24-19-23-32(3)4/h18,21-22,25,30,34H,5-17,19-20,23-24,26-27H2,1-4H3