2-[[2-[3-(4-dodecoxyphenyl)propyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxyethyl-dimethyl-azanium

Systemtic Name: 2-[[2-[3-(4-dodecoxyphenyl)propyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxyethyl-dimethyl-azanium Openeye Name: 2-[[2-[3-(4-dodecoxyphenyl)propyl]-4-oxo-hexoxy]-hydroxy-phosphoryl]oxyethyl-dimethyl-ammonium CAS Name: 2-[[2-[3-(4-dodecoxyphenyl)propyl]-4-oxohexoxy]-hydroxyphosphoryl]oxyethyl-dimethylammonium IUPAC Name: 2-[[2-[3-(4-dodecoxyphenyl)propyl]-4-oxohexoxy]-hydroxyphosphoryl]oxyethyl-dimethylazanium Traditional Name: 2-[hydroxy-[4-keto-2-[3-(4-lauryloxyphenyl)propyl]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)CCCC(CC(=O)CC)COP(=O)(O)OCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H56NO6P/c1-5-7-8-9-10-11-12-13-14-15-24-36-31-21-19-28(20-22-31)17-16-18-29(26-30(33)6-2)27-38-39(34,35)37-25-23-32(3)4/h19-22,29H,5-18,23-27H2,1-4H3,(H,34,35)/p+1