2-[[3-(4-dodecylphenoxy)-2-propanoyloxy-propoxy]-oxidanyl-phosphanyl]oxyethyl-ethyl-azanium

Systemtic Name: 2-[[3-(4-dodecylphenoxy)-2-propanoyloxy-propoxy]-oxidanyl-phosphanyl]oxyethyl-ethyl-azanium Openeye Name: 2-[[3-(4-dodecylphenoxy)-2-propanoyloxy-propoxy]-hydroxy-phosphanyl]oxyethyl-ethyl-ammonium CAS Name: 2-[[3-(4-dodecylphenoxy)-2-(1-oxopropoxy)propoxy]-hydroxyphosphino]oxyethyl-ethylammonium IUPAC Name: 2-[[3-(4-dodecylphenoxy)-2-propanoyloxypropoxy]-hydroxyphosphanyl]oxyethyl-ethylazanium Traditional Name: ethyl-[2-[hydroxy-[3-(4-laurylphenoxy)-2-propionyloxy-propoxy]phosphino]oxyethyl]ammonium Formula: C28H51NO6P+ MolecularWeight: 528.681401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)OCC(COP(O)OCC[NH2+]CC)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)OCC(COP(O)OCC[NH2+]CC)OC(=O)CC

InChI

InChI=1S/C28H50NO6P/c1-4-7-8-9-10-11-12-13-14-15-16-25-17-19-26(20-18-25)32-23-27(35-28(30)5-2)24-34-36(31)33-22-21-29-6-3/h17-20,27,29,31H,4-16,21-24H2,1-3H3/p+1