[1-[3-(dimethylamino)propoxy-oxidanyl-phosphanyl]oxy-3-(3-tridecylphenoxy)propan-2-yl] methanoate

Systemtic Name: [1-[3-(dimethylamino)propoxy-oxidanyl-phosphanyl]oxy-3-(3-tridecylphenoxy)propan-2-yl] methanoate Openeye Name: [1-[[3-(dimethylamino)propoxy-hydroxy-phosphanyl]oxymethyl]-2-(3-tridecylphenoxy)ethyl] formate CAS Name: formic acid [1-[3-(dimethylamino)propoxy-hydroxyphosphino]oxy-3-(3-tridecylphenoxy)propan-2-yl] ester IUPAC Name: [1-[3-(dimethylamino)propoxy-hydroxyphosphanyl]oxy-3-(3-tridecylphenoxy)propan-2-yl] formate Traditional Name: formic acid [1-[[3-(dimethylamino)propoxy-hydroxy-phosphino]oxymethyl]-2-(3-tridecylphenoxy)ethyl] ester Formula: C28H50NO6P MolecularWeight: 527.673461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(O)OCCCN(C)C)OC=O

Isomeric SMILES

CCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(O)OCCCN(C)C)OC=O

InChI

InChI=1S/C28H50NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-17-26-18-15-19-27(22-26)32-23-28(33-25-30)24-35-36(31)34-21-16-20-29(2)3/h15,18-19,22,25,28,31H,4-14,16-17,20-21,23-24H2,1-3H3