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

Systemtic Name: 4-[[2-acetyloxy-3-(3-tridecoxyphenyl)propoxy]-oxidanyl-phosphanyl]oxybutyl-methyl-azanium Openeye Name: 4-[[2-acetoxy-3-(3-tridecoxyphenyl)propoxy]-hydroxy-phosphanyl]oxybutyl-methyl-ammonium CAS Name: 4-[[2-acetyloxy-3-(3-tridecoxyphenyl)propoxy]-hydroxyphosphino]oxybutyl-methylammonium IUPAC Name: 4-[[2-acetyloxy-3-(3-tridecoxyphenyl)propoxy]-hydroxyphosphanyl]oxybutyl-methylazanium Traditional Name: 4-[[2-acetoxy-3-(3-tridecoxyphenyl)propoxy]-hydroxy-phosphino]oxybutyl-methyl-ammonium Formula: C29H53NO6P+ MolecularWeight: 542.707981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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