5,6-bis(iodanyl)-N-octadecyl-benzotriazole-1-carboxamide

Systemtic Name: 5,6-bis(iodanyl)-N-octadecyl-benzotriazole-1-carboxamide Openeye Name: 5,6-diiodo-N-octadecyl-benzotriazole-1-carboxamide CAS Name: 5,6-diiodo-N-octadecyl-1-benzotriazolecarboxamide IUPAC Name: 5,6-diiodo-N-octadecylbenzotriazole-1-carboxamide Traditional Name: 5,6-diiodo-N-stearyl-benzotriazole-1-carboxamide Formula: C25H40I2N4O MolecularWeight: 666.42024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)N1C2=CC(=C(C=C2N=N1)I)I

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)N1C2=CC(=C(C=C2N=N1)I)I

InChI

InChI=1S/C25H40I2N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-25(32)31-24-20-22(27)21(26)19-23(24)29-30-31/h19-20H,2-18H2,1H3,(H,28,32)