2-[[2-acetyloxy-3-(3-dodecoxy-2-methyl-phenoxy)propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-acetyloxy-3-(3-dodecoxy-2-methyl-phenoxy)propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-acetoxy-3-(3-dodecoxy-2-methyl-phenoxy)propoxy]-hydroxy-phosphanyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-acetyloxy-3-(3-dodecoxy-2-methylphenoxy)propoxy]-hydroxyphosphino]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-acetyloxy-3-(3-dodecoxy-2-methylphenoxy)propoxy]-hydroxyphosphanyl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-acetoxy-3-(3-lauryloxy-2-methyl-phenoxy)propoxy]-hydroxy-phosphino]oxyethyl-trimethyl-ammonium Formula: C29H53NO7P+ MolecularWeight: 558.707381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(O)OCC[N+](C)(C)C)OC(=O)C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(O)OCC[N+](C)(C)C)OC(=O)C)C

InChI

InChI=1S/C29H53NO7P/c1-7-8-9-10-11-12-13-14-15-16-21-33-28-18-17-19-29(25(28)2)34-23-27(37-26(3)31)24-36-38(32)35-22-20-30(4,5)6/h17-19,27,32H,7-16,20-24H2,1-6H3/q+1