2-[[2-acetyloxy-3-(4-dodecoxyphenyl)propoxy]-oxidanyl-phosphoryl]ethyl-trimethyl-azanium

Systemtic Name: 2-[[2-acetyloxy-3-(4-dodecoxyphenyl)propoxy]-oxidanyl-phosphoryl]ethyl-trimethyl-azanium Openeye Name: 2-[[2-acetoxy-3-(4-dodecoxyphenyl)propoxy]-hydroxy-phosphoryl]ethyl-trimethyl-ammonium CAS Name: 2-[[2-acetyloxy-3-(4-dodecoxyphenyl)propoxy]-hydroxyphosphoryl]ethyl-trimethylammonium IUPAC Name: 2-[[2-acetyloxy-3-(4-dodecoxyphenyl)propoxy]-hydroxyphosphoryl]ethyl-trimethylazanium Traditional Name: 2-[[2-acetoxy-3-(4-lauryloxyphenyl)propoxy]-hydroxy-phosphoryl]ethyl-trimethyl-ammonium Formula: C28H51NO6P+ MolecularWeight: 528.681401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H50NO6P/c1-6-7-8-9-10-11-12-13-14-15-21-33-27-18-16-26(17-19-27)23-28(35-25(2)30)24-34-36(31,32)22-20-29(3,4)5/h16-19,28H,6-15,20-24H2,1-5H3/p+1