trimethyl-[2-[oxidanyl-(4-oxidanylidene-2-pyren-1-yloxy-3-triacontanoyloxy-nonoxy)phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[oxidanyl-(4-oxidanylidene-2-pyren-1-yloxy-3-triacontanoyloxy-nonoxy)phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-(4-oxo-2-pyren-1-yloxy-3-triacontanoyloxy-nonoxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[4-oxo-3-(1-oxotriacontoxy)-2-(1-pyrenyloxy)nonoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-(4-oxo-2-pyren-1-yloxy-3-triacontanoyloxynonoxy)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-(4-keto-2-pyren-1-yloxy-3-triacontanoyloxy-nonoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C60H97NO8P+ MolecularWeight: 991.387841

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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/p+1