1,4-bis[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-4-ium iodide

Systemtic Name: 1,4-bis[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-4-ium iodide Openeye Name: 1,4-bis[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-4-ium iodide CAS Name: 1,4-bis[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-4-ium iodide IUPAC Name: 1,4-bis[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-4-ium iodide Traditional Name: 1,4-bis(2,4-dichlorobenzyl)-1,2,4-triazol-4-ium iodide Formula: C16H12Cl4IN3 MolecularWeight: 515.00305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CN2C=[N+](C=N2)CC3=C(C=C(C=C3)Cl)Cl.[I-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CN2C=[N+](C=N2)CC3=C(C=C(C=C3)Cl)Cl.[I-]

InChI

InChI=1S/C16H12Cl4N3.HI/c17-13-3-1-11(15(19)5-13)7-22-9-21-23(10-22)8-12-2-4-14(18)6-16(12)20;/h1-6,9-10H,7-8H2;1H/q+1;/p-1