4-[[3-(4-dodecylphenoxy)-2-methanoyloxy-propoxy]-oxidanyl-phosphanyl]oxybutyl-dimethyl-azanium

Systemtic Name: 4-[[3-(4-dodecylphenoxy)-2-methanoyloxy-propoxy]-oxidanyl-phosphanyl]oxybutyl-dimethyl-azanium Openeye Name: 4-[[3-(4-dodecylphenoxy)-2-formyloxy-propoxy]-hydroxy-phosphanyl]oxybutyl-dimethyl-ammonium CAS Name: 4-[[3-(4-dodecylphenoxy)-2-formyloxypropoxy]-hydroxyphosphino]oxybutyl-dimethylammonium IUPAC Name: 4-[[3-(4-dodecylphenoxy)-2-formyloxypropoxy]-hydroxyphosphanyl]oxybutyl-dimethylazanium Traditional Name: 4-[[2-formyloxy-3-(4-laurylphenoxy)propoxy]-hydroxy-phosphino]oxybutyl-dimethyl-ammonium Formula: C28H51NO6P+ MolecularWeight: 528.681401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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