2-methyl-3-octadecyl-2H-1,3-benzothiazole iodide

Systemtic Name: 2-methyl-3-octadecyl-2H-1,3-benzothiazole iodide Openeye Name: 2-methyl-3-octadecyl-2H-1,3-benzothiazole iodide CAS Name: 2-methyl-3-octadecyl-2H-1,3-benzothiazole iodide IUPAC Name: 2-methyl-3-octadecyl-2H-1,3-benzothiazole iodide Traditional Name: 2-methyl-3-stearyl-2H-1,3-benzothiazole iodide Formula: C26H45INS- MolecularWeight: 530.61167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(SC2=CC=CC=C21)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(SC2=CC=CC=C21)C.[I-]

InChI

InChI=1S/C26H45NS.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-27-24(2)28-26-22-19-18-21-25(26)27;/h18-19,21-22,24H,3-17,20,23H2,1-2H3;1H/p-1