2-iodosyl-N-octadecanoyl-3,5,6-trioctadecyl-benzamide

Systemtic Name: 2-iodosyl-N-octadecanoyl-3,5,6-trioctadecyl-benzamide Openeye Name: 2-iodosyl-N-octadecanoyl-3,5,6-trioctadecyl-benzamide CAS Name: 2-iodosyl-3,5,6-trioctadecyl-N-(1-oxooctadecyl)benzamide IUPAC Name: 2-iodosyl-N-octadecanoyl-3,5,6-trioctadecylbenzamide Traditional Name: 2-iodosyl-N-stearoyl-3,5,6-tristearyl-benzamide Formula: C79H148INO3 MolecularWeight: 1286.92979

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCCCCCCCC)C(=O)NC(=O)CCCCCCCCCCCCCCCCC)I=O)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCCCCCCCC)C(=O)NC(=O)CCCCCCCCCCCCCCCCC)I=O)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C79H148INO3/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-68-73-72-74(69-65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2)78(80-84)77(75(73)70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)79(83)81-76(82)71-67-63-59-55-51-47-40-36-32-28-24-20-16-12-8-4/h72H,5-71H2,1-4H3,(H,81,82,83)