4-azido-N-hexadecyl-3-iodanyl-2-oxidanyl-benzamide

Systemtic Name: 4-azido-N-hexadecyl-3-iodanyl-2-oxidanyl-benzamide Openeye Name: 4-azido-N-hexadecyl-2-hydroxy-3-iodanyl-benzamide CAS Name: 4-azido-N-hexadecyl-2-hydroxy-3-iodanylbenzamide IUPAC Name: 4-azido-N-hexadecyl-2-hydroxy-3-iodanylbenzamide Traditional Name: 4-azido-N-cetyl-2-hydroxy-3-iodanyl-benzamide Formula: C23H37IN4O2 MolecularWeight: 526.470104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C1=C(C(=C(C=C1)N=[N+]=[N-])I)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C1=C(C(=C(C=C1)N=[N+]=[N-])[125I])O

InChI

InChI=1S/C23H37IN4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26-23(30)19-16-17-20(27-28-25)21(24)22(19)29/h16-17,29H,2-15,18H2,1H3,(H,26,30)/i24-2