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

Systemtic Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxyethyl-dimethyl-azanium Openeye Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-hexoxy]-hydroxy-phosphoryl]oxyethyl-dimethyl-ammonium CAS Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxohexoxy]-hydroxyphosphoryl]oxyethyl-dimethylammonium IUPAC Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxohexoxy]-hydroxyphosphoryl]oxyethyl-dimethylazanium Traditional Name: 2-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)hexoxy]phosphoryl]oxyethyl-dimethyl-ammonium Formula: C29H53NO6P+ MolecularWeight: 542.707981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO6P/c1-5-7-8-9-10-11-12-13-14-15-21-34-29-18-16-26(17-19-29)23-27(24-28(31)6-2)25-36-37(32,33)35-22-20-30(3)4/h16-19,27H,5-15,20-25H2,1-4H3,(H,32,33)/p+1