1-(4-icosanoyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)icosan-1-one

Systemtic Name: 1-(4-icosanoyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)icosan-1-one Openeye Name: 1-(4-icosanoyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)icosan-1-one CAS Name: 1-[5-oxido-4-(1-oxoeicosyl)-1,2,5-oxadiazol-5-ium-3-yl]-1-eicosanone IUPAC Name: 1-(4-icosanoyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)icosan-1-one Traditional Name: 1-(4-eicosanoyl-5-oxido-furazan-5-ium-3-yl)eicosan-1-one Formula: C42H78N2O4 MolecularWeight: 675.07972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)C1=NO[N+](=C1C(=O)CCCCCCCCCCCCCCCCCCC)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)C1=NO[N+](=C1C(=O)CCCCCCCCCCCCCCCCCCC)[O-]

InChI

InChI=1S/C42H78N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(45)41-42(44(47)48-43-41)40(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3