4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxybutyl-trimethyl-azanium

Systemtic Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxybutyl-trimethyl-azanium Openeye Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-hexoxy]-hydroxy-phosphoryl]oxybutyl-trimethyl-ammonium CAS Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxohexoxy]-hydroxyphosphoryl]oxybutyl-trimethylammonium IUPAC Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxohexoxy]-hydroxyphosphoryl]oxybutyl-trimethylazanium Traditional Name: 4-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)hexoxy]phosphoryl]oxybutyl-trimethyl-ammonium Formula: C32H59NO6P+ MolecularWeight: 584.787721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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