trimethyl-[2-[[6-(4-nitrophenoxy)-6-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[6-(4-nitrophenoxy)-6-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[6-(4-nitrophenoxy)-6-oxo-hexoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[6-(4-nitrophenoxy)-6-oxohexoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[6-(4-nitrophenoxy)-6-oxohexoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[6-keto-6-(4-nitrophenoxy)hexoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C17H28N2O8P+ MolecularWeight: 419.386581

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOP(=O)(O)OCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCOP(=O)(O)OCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H27N2O8P/c1-19(2,3)12-14-26-28(23,24)25-13-6-4-5-7-17(20)27-16-10-8-15(9-11-16)18(21)22/h8-11H,4-7,12-14H2,1-3H3/p+1