N-ethanoyl-2-iodyl-3,5,6-trioctadecyl-benzamide

Systemtic Name: N-ethanoyl-2-iodyl-3,5,6-trioctadecyl-benzamide Openeye Name: N-acetyl-2-iodyl-3,5,6-trioctadecyl-benzamide CAS Name: N-acetyl-2-iodyl-3,5,6-trioctadecylbenzamide IUPAC Name: N-acetyl-2-iodyl-3,5,6-trioctadecylbenzamide Traditional Name: N-acetyl-2-iodyl-3,5,6-tristearyl-benzamide Formula: C63H116INO4 MolecularWeight: 1078.50391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C63H116INO4/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-58-56-59(54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)62(64(68)69)61(63(67)65-57(4)66)60(58)55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h56H,5-55H2,1-4H3,(H,65,66,67)