2-[[2-butanoyloxy-3-(3-tridecoxyphenyl)propoxy]-oxidanyl-phosphanyl]oxyethyl-methyl-azanium

Systemtic Name: 2-[[2-butanoyloxy-3-(3-tridecoxyphenyl)propoxy]-oxidanyl-phosphanyl]oxyethyl-methyl-azanium Openeye Name: 2-[[2-butanoyloxy-3-(3-tridecoxyphenyl)propoxy]-hydroxy-phosphanyl]oxyethyl-methyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxobutoxy)-3-(3-tridecoxyphenyl)propoxy]phosphino]oxyethyl-methylammonium IUPAC Name: 2-[[2-butanoyloxy-3-(3-tridecoxyphenyl)propoxy]-hydroxyphosphanyl]oxyethyl-methylazanium Traditional Name: 2-[[2-butyryloxy-3-(3-tridecoxyphenyl)propoxy]-hydroxy-phosphino]oxyethyl-methyl-ammonium Formula: C29H53NO6P+ MolecularWeight: 542.707981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(COP(O)OCC[NH2+]C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(COP(O)OCC[NH2+]C)OC(=O)CCC

InChI

InChI=1S/C29H52NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-21-33-27-19-16-18-26(23-27)24-28(36-29(31)17-5-2)25-35-37(32)34-22-20-30-3/h16,18-19,23,28,30,32H,4-15,17,20-22,24-25H2,1-3H3/p+1