2-[[2-(hexadecanoylamino)-4-nitro-phenoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium hydroxide

Systemtic Name: 2-[[2-(hexadecanoylamino)-4-nitro-phenoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium hydroxide Openeye Name: 2-[[2-(hexadecanoylamino)-4-nitro-phenoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium hydroxide CAS Name: 2-[hydroxy-[4-nitro-2-(1-oxohexadecylamino)phenoxy]phosphoryl]oxyethyl-trimethylammonium hydroxide IUPAC Name: 2-[[2-(hexadecanoylamino)-4-nitrophenoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium hydroxide Traditional Name: 2-[hydroxy-(4-nitro-2-palmitamido-phenoxy)phosphoryl]oxyethyl-trimethyl-ammonium hydroxide Formula: C27H50N3O8P MolecularWeight: 575.674961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OP(=O)(O)OCC[N+](C)(C)C.[OH-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OP(=O)(O)OCC[N+](C)(C)C.[OH-]

InChI

InChI=1S/C27H48N3O7P.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(31)28-25-23-24(29(32)33)19-20-26(25)37-38(34,35)36-22-21-30(2,3)4;/h19-20,23H,5-18,21-22H2,1-4H3,(H-,28,31,34,35);1H2