[6-(4-nitrophenoxy)-6-oxidanylidene-hexyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [6-(4-nitrophenoxy)-6-oxidanylidene-hexyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [6-(4-nitrophenoxy)-6-oxo-hexyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [6-(4-nitrophenoxy)-6-oxohexyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [6-(4-nitrophenoxy)-6-oxohexyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [6-keto-6-(4-nitrophenoxy)hexyl] 2-(trimethylammonio)ethyl phosphate Formula: C17H27N2O8P MolecularWeight: 418.378641

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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