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

Systemtic Name: 3-[[3-(4-dodecylphenoxy)-2-methanoyloxy-propoxy]-oxidanyl-phosphanyl]oxypropyl-dimethyl-azanium Openeye Name: 3-[[3-(4-dodecylphenoxy)-2-formyloxy-propoxy]-hydroxy-phosphanyl]oxypropyl-dimethyl-ammonium CAS Name: 3-[[3-(4-dodecylphenoxy)-2-formyloxypropoxy]-hydroxyphosphino]oxypropyl-dimethylammonium IUPAC Name: 3-[[3-(4-dodecylphenoxy)-2-formyloxypropoxy]-hydroxyphosphanyl]oxypropyl-dimethylazanium Traditional Name: 3-[[2-formyloxy-3-(4-laurylphenoxy)propoxy]-hydroxy-phosphino]oxypropyl-dimethyl-ammonium Formula: C27H49NO6P+ MolecularWeight: 514.654821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48NO6P/c1-4-5-6-7-8-9-10-11-12-13-15-25-16-18-26(19-17-25)31-22-27(32-24-29)23-34-35(30)33-21-14-20-28(2)3/h16-19,24,27,30H,4-15,20-23H2,1-3H3/p+1