[1-[4-(dimethylamino)butoxy-oxidanyl-phosphanyl]oxy-3-(3-tridecylphenoxy)propan-2-yl] methanoate

Systemtic Name: [1-[4-(dimethylamino)butoxy-oxidanyl-phosphanyl]oxy-3-(3-tridecylphenoxy)propan-2-yl] methanoate Openeye Name: [1-[[4-(dimethylamino)butoxy-hydroxy-phosphanyl]oxymethyl]-2-(3-tridecylphenoxy)ethyl] formate CAS Name: formic acid [1-[4-(dimethylamino)butoxy-hydroxyphosphino]oxy-3-(3-tridecylphenoxy)propan-2-yl] ester IUPAC Name: [1-[4-(dimethylamino)butoxy-hydroxyphosphanyl]oxy-3-(3-tridecylphenoxy)propan-2-yl] formate Traditional Name: formic acid [1-[[4-(dimethylamino)butoxy-hydroxy-phosphino]oxymethyl]-2-(3-tridecylphenoxy)ethyl] ester Formula: C29H52NO6P MolecularWeight: 541.700041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-18-27-19-17-20-28(23-27)33-24-29(34-26-31)25-36-37(32)35-22-16-15-21-30(2)3/h17,19-20,23,26,29,32H,4-16,18,21-22,24-25H2,1-3H3