4-[[2-acetyloxy-3-(4-dodecoxyphenyl)propoxy]-oxidanyl-phosphanyl]oxybutyl-methyl-azanium

Systemtic Name: 4-[[2-acetyloxy-3-(4-dodecoxyphenyl)propoxy]-oxidanyl-phosphanyl]oxybutyl-methyl-azanium Openeye Name: 4-[[2-acetoxy-3-(4-dodecoxyphenyl)propoxy]-hydroxy-phosphanyl]oxybutyl-methyl-ammonium CAS Name: 4-[[2-acetyloxy-3-(4-dodecoxyphenyl)propoxy]-hydroxyphosphino]oxybutyl-methylammonium IUPAC Name: 4-[[2-acetyloxy-3-(4-dodecoxyphenyl)propoxy]-hydroxyphosphanyl]oxybutyl-methylazanium Traditional Name: 4-[[2-acetoxy-3-(4-lauryloxyphenyl)propoxy]-hydroxy-phosphino]oxybutyl-methyl-ammonium Formula: C28H51NO6P+ MolecularWeight: 528.681401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(COP(O)OCCCC[NH2+]C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(COP(O)OCCCC[NH2+]C)OC(=O)C

InChI

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