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

Systemtic Name: 2-[[2-butanoyloxy-4-(3-dodecoxyphenyl)butoxy]-oxidanyl-phosphanyl]oxyethyl-methyl-azanium Openeye Name: 2-[[2-butanoyloxy-4-(3-dodecoxyphenyl)butoxy]-hydroxy-phosphanyl]oxyethyl-methyl-ammonium CAS Name: 2-[[4-(3-dodecoxyphenyl)-2-(1-oxobutoxy)butoxy]-hydroxyphosphino]oxyethyl-methylammonium IUPAC Name: 2-[[2-butanoyloxy-4-(3-dodecoxyphenyl)butoxy]-hydroxyphosphanyl]oxyethyl-methylazanium Traditional Name: 2-[[2-butyryloxy-4-(3-lauryloxyphenyl)butoxy]-hydroxy-phosphino]oxyethyl-methyl-ammonium Formula: C29H53NO6P+ MolecularWeight: 542.707981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO6P/c1-4-6-7-8-9-10-11-12-13-14-22-33-27-18-15-17-26(24-27)19-20-28(36-29(31)16-5-2)25-35-37(32)34-23-21-30-3/h15,17-18,24,28,30,32H,4-14,16,19-23,25H2,1-3H3/p+1