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

Systemtic Name: [1-[4-(dimethylamino)butoxy-oxidanyl-phosphanyl]oxy-3-(4-dodecylphenoxy)propan-2-yl] ethanoate Openeye Name: [1-[[4-(dimethylamino)butoxy-hydroxy-phosphanyl]oxymethyl]-2-(4-dodecylphenoxy)ethyl] acetate CAS Name: acetic acid [1-[4-(dimethylamino)butoxy-hydroxyphosphino]oxy-3-(4-dodecylphenoxy)propan-2-yl] ester IUPAC Name: [1-[4-(dimethylamino)butoxy-hydroxyphosphanyl]oxy-3-(4-dodecylphenoxy)propan-2-yl] acetate Traditional Name: acetic acid [1-[[4-(dimethylamino)butoxy-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)OCCCCN(C)C)OC(=O)C

Isomeric SMILES

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

InChI

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