1-iodyl-2,4,5-trioctadecyl-benzene; sulfamide

Systemtic Name: 1-iodyl-2,4,5-trioctadecyl-benzene; sulfamide Openeye Name: 1-iodyl-2,4,5-trioctadecyl-benzene; sulfamide CAS Name: 1-iodyl-2,4,5-trioctadecylbenzene; sulfamide IUPAC Name: 1-iodyl-2,4,5-trioctadecylbenzene; sulfamide Traditional Name: 1-iodyl-2,4,5-tristearyl-benzene; sulfamide Formula: C60H117IN2O4S MolecularWeight: 1089.55145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1CCCCCCCCCCCCCCCCCC)I(=O)=O)CCCCCCCCCCCCCCCCCC.NS(=O)(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1CCCCCCCCCCCCCCCCCC)I(=O)=O)CCCCCCCCCCCCCCCCCC.NS(=O)(=O)N

InChI

InChI=1S/C60H113IO2.H4N2O2S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-57-55-59(54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)60(61(62)63)56-58(57)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2;1-5(2,3)4/h55-56H,4-54H2,1-3H3;(H4,1,2,3,4)