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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(O)OCCC[NH+](C)C)OC=O

Isomeric SMILES

CCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(O)OCCC[NH+](C)C)OC=O

InChI

InChI=1S/C28H50NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-17-26-18-15-19-27(22-26)32-23-28(33-25-30)24-35-36(31)34-21-16-20-29(2)3/h15,18-19,22,25,28,31H,4-14,16-17,20-21,23-24H2,1-3H3/p+1