2-[[5-(4-dodecoxyphenyl)-2-methanoyloxy-pentoxy]-oxidanyl-phosphanyl]oxyethyl-methyl-azanium

Systemtic Name: 2-[[5-(4-dodecoxyphenyl)-2-methanoyloxy-pentoxy]-oxidanyl-phosphanyl]oxyethyl-methyl-azanium Openeye Name: 2-[[5-(4-dodecoxyphenyl)-2-formyloxy-pentoxy]-hydroxy-phosphanyl]oxyethyl-methyl-ammonium CAS Name: 2-[[5-(4-dodecoxyphenyl)-2-formyloxypentoxy]-hydroxyphosphino]oxyethyl-methylammonium IUPAC Name: 2-[[5-(4-dodecoxyphenyl)-2-formyloxypentoxy]-hydroxyphosphanyl]oxyethyl-methylazanium Traditional Name: 2-[[2-formyloxy-5-(4-lauryloxyphenyl)pentoxy]-hydroxy-phosphino]oxyethyl-methyl-ammonium Formula: C27H49NO6P+ MolecularWeight: 514.654821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48NO6P/c1-3-4-5-6-7-8-9-10-11-12-21-31-26-18-16-25(17-19-26)14-13-15-27(32-24-29)23-34-35(30)33-22-20-28-2/h16-19,24,27-28,30H,3-15,20-23H2,1-2H3/p+1