2-[[2-acetyloxy-3-(3-tridecoxyphenyl)propoxy]-oxidanyl-phosphoryl]ethyl-trimethyl-azanium

Systemtic Name: 2-[[2-acetyloxy-3-(3-tridecoxyphenyl)propoxy]-oxidanyl-phosphoryl]ethyl-trimethyl-azanium Openeye Name: 2-[[2-acetoxy-3-(3-tridecoxyphenyl)propoxy]-hydroxy-phosphoryl]ethyl-trimethyl-ammonium CAS Name: 2-[[2-acetyloxy-3-(3-tridecoxyphenyl)propoxy]-hydroxyphosphoryl]ethyl-trimethylammonium IUPAC Name: 2-[[2-acetyloxy-3-(3-tridecoxyphenyl)propoxy]-hydroxyphosphoryl]ethyl-trimethylazanium Traditional Name: 2-[[2-acetoxy-3-(3-tridecoxyphenyl)propoxy]-hydroxy-phosphoryl]ethyl-trimethyl-ammonium Formula: C29H53NO6P+ MolecularWeight: 542.707981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(COP(=O)(CC[N+](C)(C)C)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(COP(=O)(CC[N+](C)(C)C)O)OC(=O)C

InChI

InChI=1S/C29H52NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-21-34-28-19-17-18-27(23-28)24-29(36-26(2)31)25-35-37(32,33)22-20-30(3,4)5/h17-19,23,29H,6-16,20-22,24-25H2,1-5H3/p+1