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

Systemtic Name: 2-[[2-acetyloxy-3-(3-tridecoxyphenyl)propoxy]-oxidanyl-phosphanyl]oxyethyl-methyl-azanium Openeye Name: 2-[[2-acetoxy-3-(3-tridecoxyphenyl)propoxy]-hydroxy-phosphanyl]oxyethyl-methyl-ammonium CAS Name: 2-[[2-acetyloxy-3-(3-tridecoxyphenyl)propoxy]-hydroxyphosphino]oxyethyl-methylammonium IUPAC Name: 2-[[2-acetyloxy-3-(3-tridecoxyphenyl)propoxy]-hydroxyphosphanyl]oxyethyl-methylazanium Traditional Name: 2-[[2-acetoxy-3-(3-tridecoxyphenyl)propoxy]-hydroxy-phosphino]oxyethyl-methyl-ammonium Formula: C27H49NO6P+ MolecularWeight: 514.654821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-19-31-26-17-15-16-25(21-26)22-27(34-24(2)29)23-33-35(30)32-20-18-28-3/h15-17,21,27-28,30H,4-14,18-20,22-23H2,1-3H3/p+1