2-[[2-acetyloxy-4-(3-dodecoxyphenyl)butoxy]-oxidanyl-phosphanyl]oxyethyl-methyl-azanium

Systemtic Name: 2-[[2-acetyloxy-4-(3-dodecoxyphenyl)butoxy]-oxidanyl-phosphanyl]oxyethyl-methyl-azanium Openeye Name: 2-[[2-acetoxy-4-(3-dodecoxyphenyl)butoxy]-hydroxy-phosphanyl]oxyethyl-methyl-ammonium CAS Name: 2-[[2-acetyloxy-4-(3-dodecoxyphenyl)butoxy]-hydroxyphosphino]oxyethyl-methylammonium IUPAC Name: 2-[[2-acetyloxy-4-(3-dodecoxyphenyl)butoxy]-hydroxyphosphanyl]oxyethyl-methylazanium Traditional Name: 2-[[2-acetoxy-4-(3-lauryloxyphenyl)butoxy]-hydroxy-phosphino]oxyethyl-methyl-ammonium Formula: C27H49NO6P+ MolecularWeight: 514.654821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48NO6P/c1-4-5-6-7-8-9-10-11-12-13-20-31-26-16-14-15-25(22-26)17-18-27(34-24(2)29)23-33-35(30)32-21-19-28-3/h14-16,22,27-28,30H,4-13,17-21,23H2,1-3H3/p+1