2-[[2-(4-dodecoxyphenyl)-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxyethyl-methyl-azanium

Systemtic Name: 2-[[2-(4-dodecoxyphenyl)-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxyethyl-methyl-azanium Openeye Name: 2-[[2-(4-dodecoxyphenyl)-4-oxo-hexoxy]-hydroxy-phosphoryl]oxyethyl-methyl-ammonium CAS Name: 2-[[2-(4-dodecoxyphenyl)-4-oxohexoxy]-hydroxyphosphoryl]oxyethyl-methylammonium IUPAC Name: 2-[[2-(4-dodecoxyphenyl)-4-oxohexoxy]-hydroxyphosphoryl]oxyethyl-methylazanium Traditional Name: 2-[hydroxy-[4-keto-2-(4-lauryloxyphenyl)hexoxy]phosphoryl]oxyethyl-methyl-ammonium Formula: C27H49NO6P+ MolecularWeight: 514.654821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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