3-[3-(3,5-dimethyl-4-oxidanyl-phenyl)-1-octadecyl-1-oxidanidyl-2-oxidanylidene-pyrrolidin-1-ium-3-yl]-1-octadecyl-pyrrolidine-2,5-dione

Systemtic Name: 3-[3-(3,5-dimethyl-4-oxidanyl-phenyl)-1-octadecyl-1-oxidanidyl-2-oxidanylidene-pyrrolidin-1-ium-3-yl]-1-octadecyl-pyrrolidine-2,5-dione Openeye Name: 3-[3-(4-hydroxy-3,5-dimethyl-phenyl)-1-octadecyl-1-oxido-2-oxo-pyrrolidin-1-ium-3-yl]-1-octadecyl-pyrrolidine-2,5-dione CAS Name: 3-[3-(4-hydroxy-3,5-dimethylphenyl)-1-octadecyl-1-oxido-2-oxo-3-pyrrolidin-1-iumyl]-1-octadecylpyrrolidine-2,5-dione IUPAC Name: 3-[3-(4-hydroxy-3,5-dimethylphenyl)-1-octadecyl-1-oxido-2-oxopyrrolidin-1-ium-3-yl]-1-octadecylpyrrolidine-2,5-dione Traditional Name: 3-[3-(4-hydroxy-3,5-dimethyl-phenyl)-2-keto-1-oxido-1-stearyl-pyrrolidin-1-ium-3-yl]-1-stearyl-pyrrolidine-2,5-quinone Formula: C52H90N2O5 MolecularWeight: 823.2814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)CC(C1=O)C2(CC[N+](C2=O)(CCCCCCCCCCCCCCCCCC)[O-])C3=CC(=C(C(=C3)C)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)CC(C1=O)C2(CC[N+](C2=O)(CCCCCCCCCCCCCCCCCC)[O-])C3=CC(=C(C(=C3)C)O)C

InChI

InChI=1S/C52H90N2O5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-53-48(55)43-47(50(53)57)52(46-41-44(3)49(56)45(4)42-46)37-40-54(59,51(52)58)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h41-42,47,56H,5-40,43H2,1-4H3