2-[[2-acetyloxy-3-(2,4-ditert-butyl-5-dodecoxy-phenoxy)propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-acetyloxy-3-(2,4-ditert-butyl-5-dodecoxy-phenoxy)propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-acetoxy-3-(2,4-ditert-butyl-5-dodecoxy-phenoxy)propoxy]-hydroxy-phosphanyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-acetyloxy-3-(2,4-ditert-butyl-5-dodecoxyphenoxy)propoxy]-hydroxyphosphino]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-acetyloxy-3-(2,4-ditert-butyl-5-dodecoxyphenoxy)propoxy]-hydroxyphosphanyl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-acetoxy-3-(2,4-ditert-butyl-5-lauryloxy-phenoxy)propoxy]-hydroxy-phosphino]oxyethyl-trimethyl-ammonium Formula: C36H67NO7P+ MolecularWeight: 656.893441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)OCC(COP(O)OCC[N+](C)(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)OCC(COP(O)OCC[N+](C)(C)C)OC(=O)C

InChI

InChI=1S/C36H67NO7P/c1-12-13-14-15-16-17-18-19-20-21-23-40-33-26-34(32(36(6,7)8)25-31(33)35(3,4)5)41-27-30(44-29(2)38)28-43-45(39)42-24-22-37(9,10)11/h25-26,30,39H,12-24,27-28H2,1-11H3/q+1