[1-(4-dodecylphenoxy)-3-[2-(ethylamino)ethoxy-oxidanyl-phosphanyl]oxy-propan-2-yl] butanoate

Systemtic Name: [1-(4-dodecylphenoxy)-3-[2-(ethylamino)ethoxy-oxidanyl-phosphanyl]oxy-propan-2-yl] butanoate Openeye Name: [1-[(4-dodecylphenoxy)methyl]-2-[2-(ethylamino)ethoxy-hydroxy-phosphanyl]oxy-ethyl] butanoate CAS Name: butanoic acid [1-(4-dodecylphenoxy)-3-[2-(ethylamino)ethoxy-hydroxyphosphino]oxypropan-2-yl] ester IUPAC Name: [1-(4-dodecylphenoxy)-3-[2-(ethylamino)ethoxy-hydroxyphosphanyl]oxypropan-2-yl] butanoate Traditional Name: butyric acid [1-[[2-(ethylamino)ethoxy-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)OCCNCC)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)OCC(COP(O)OCCNCC)OC(=O)CCC

InChI

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