(4-oxidanylidene-2-pyren-1-yloxy-3-triacontanoyloxy-nonyl) 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: (4-oxidanylidene-2-pyren-1-yloxy-3-triacontanoyloxy-nonyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (4-oxo-2-pyren-1-yloxy-3-triacontanoyloxy-nonyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [4-oxo-3-(1-oxotriacontoxy)-2-(1-pyrenyloxy)nonyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (4-oxo-2-pyren-1-yloxy-3-triacontanoyloxynonyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (4-keto-2-pyren-1-yloxy-3-triacontanoyloxy-nonyl) 2-(trimethylammonio)ethyl phosphate Formula: C60H96NO8P MolecularWeight: 990.379901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C(COP(=O)([O-])OCC[N+](C)(C)C)OC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C(COP(=O)([O-])OCC[N+](C)(C)C)OC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)CCCCC

InChI

InChI=1S/C60H96NO8P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-40-57(63)69-60(54(62)39-34-9-7-2)56(49-67-70(64,65)66-48-47-61(3,4)5)68-55-46-44-52-42-41-50-37-36-38-51-43-45-53(55)59(52)58(50)51/h36-38,41-46,56,60H,6-35,39-40,47-49H2,1-5H3