4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxybutyl-dimethyl-azanium

Systemtic Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxybutyl-dimethyl-azanium Openeye Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-heptoxy]-hydroxy-phosphoryl]oxybutyl-dimethyl-ammonium CAS Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxoheptoxy]-hydroxyphosphoryl]oxybutyl-dimethylammonium IUPAC Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxoheptoxy]-hydroxyphosphoryl]oxybutyl-dimethylazanium Traditional Name: 4-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)heptoxy]phosphoryl]oxybutyl-dimethyl-ammonium Formula: C32H59NO6P+ MolecularWeight: 584.787721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H58NO6P/c1-5-7-8-9-10-11-12-13-14-16-24-37-32-21-19-29(20-22-32)26-30(27-31(34)18-6-2)28-39-40(35,36)38-25-17-15-23-33(3)4/h19-22,30H,5-18,23-28H2,1-4H3,(H,35,36)/p+1