2-[[2-butanoyloxy-4-(4-undecoxyphenyl)butoxy]-oxidanyl-phosphanyl]oxyethyl-methyl-azanium

Systemtic Name: 2-[[2-butanoyloxy-4-(4-undecoxyphenyl)butoxy]-oxidanyl-phosphanyl]oxyethyl-methyl-azanium Openeye Name: 2-[[2-butanoyloxy-4-(4-undecoxyphenyl)butoxy]-hydroxy-phosphanyl]oxyethyl-methyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxobutoxy)-4-(4-undecoxyphenyl)butoxy]phosphino]oxyethyl-methylammonium IUPAC Name: 2-[[2-butanoyloxy-4-(4-undecoxyphenyl)butoxy]-hydroxyphosphanyl]oxyethyl-methylazanium Traditional Name: 2-[[2-butyryloxy-4-(4-undecoxyphenyl)butoxy]-hydroxy-phosphino]oxyethyl-methyl-ammonium Formula: C28H51NO6P+ MolecularWeight: 528.681401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)CCC(COP(O)OCC[NH2+]C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)CCC(COP(O)OCC[NH2+]C)OC(=O)CCC

InChI

InChI=1S/C28H50NO6P/c1-4-6-7-8-9-10-11-12-13-22-32-26-18-15-25(16-19-26)17-20-27(35-28(30)14-5-2)24-34-36(31)33-23-21-29-3/h15-16,18-19,27,29,31H,4-14,17,20-24H2,1-3H3/p+1