3-[(3,5-dinitrophenyl)methyl]-2-methyl-2H-1,3-benzothiazole iodide

Systemtic Name: 3-[(3,5-dinitrophenyl)methyl]-2-methyl-2H-1,3-benzothiazole iodide Openeye Name: 3-[(3,5-dinitrophenyl)methyl]-2-methyl-2H-1,3-benzothiazole iodide CAS Name: 3-[(3,5-dinitrophenyl)methyl]-2-methyl-2H-1,3-benzothiazole iodide IUPAC Name: 3-[(3,5-dinitrophenyl)methyl]-2-methyl-2H-1,3-benzothiazole iodide Traditional Name: 3-(3,5-dinitrobenzyl)-2-methyl-2H-1,3-benzothiazole iodide Formula: C15H13IN3O4S- MolecularWeight: 458.25089

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=CC=CC=C2S1)CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-].[I-]

Isomeric SMILES

CC1N(C2=CC=CC=C2S1)CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-].[I-]

InChI

InChI=1S/C15H13N3O4S.HI/c1-10-16(14-4-2-3-5-15(14)23-10)9-11-6-12(17(19)20)8-13(7-11)18(21)22;/h2-8,10H,9H2,1H3;1H/p-1