ethyl-dimethyl-[4-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxybutyl]azanium

Systemtic Name: ethyl-dimethyl-[4-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxybutyl]azanium Openeye Name: ethyl-[4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxo-hexoxy]phosphoryl]oxybutyl]-dimethyl-ammonium CAS Name: ethyl-[4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxohexoxy]phosphoryl]oxybutyl]-dimethylammonium IUPAC Name: ethyl-[4-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxohexoxy]phosphoryl]oxybutyl]-dimethylazanium Traditional Name: ethyl-[4-[hydroxy-[4-keto-2-(2-stearyloxybenzyl)hexoxy]phosphoryl]oxybutyl]-dimethyl-ammonium Formula: C39H73NO6P+ MolecularWeight: 682.973781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)CC)COP(=O)(O)OCCCC[N+](C)(C)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)CC)COP(=O)(O)OCCCC[N+](C)(C)CC

InChI

InChI=1S/C39H72NO6P/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-31-44-39-29-24-23-28-37(39)33-36(34-38(41)7-2)35-46-47(42,43)45-32-27-25-30-40(4,5)8-3/h23-24,28-29,36H,6-22,25-27,30-35H2,1-5H3/p+1