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

Systemtic Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxyethyl-ethyl-dimethyl-azanium Openeye Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-hexoxy]-hydroxy-phosphoryl]oxyethyl-ethyl-dimethyl-ammonium CAS Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxohexoxy]-hydroxyphosphoryl]oxyethyl-ethyl-dimethylammonium IUPAC Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxohexoxy]-hydroxyphosphoryl]oxyethyl-ethyl-dimethylazanium Traditional Name: ethyl-[2-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)hexoxy]phosphoryl]oxyethyl]-dimethyl-ammonium Formula: C31H57NO6P+ MolecularWeight: 570.761141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56NO6P/c1-6-9-10-11-12-13-14-15-16-17-23-36-31-20-18-28(19-21-31)25-29(26-30(33)7-2)27-38-39(34,35)37-24-22-32(4,5)8-3/h18-21,29H,6-17,22-27H2,1-5H3/p+1