3-Pentyl-2-[(1E,3E,5Z)-5-(3-Pentyl-1,3-Benzothiazol-2(3H)-Ylidene)-1,3-Pentadien-1-Yl]-1,3-Benzothiazol-3-Ium Iodide
[CAS# 53213-96-0]

Identification

• Name: 3-Pentyl-2-[(1E,3E,5Z)-5-(3-Pentyl-1,3-Benzothiazol-2(3H)-Ylidene)-1,3-Pentadien-1-Yl]-1,3-Benzothiazol-3-Ium Iodide
• Synonyms: 3-pentyl-2-{(1E,3E)-5-[3-pentyl-1,3-benzothiazol-2(3H)-ylidene]-1,3-pentadienyl}-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 3-pentyl-2-[5-(3-pentyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl]-, iodide (9CI)
• Molecular Formula: C₂₉H₃₅IN₂S₂
• Molecular Weight: 602.64
• CAS Registry Number: 53213-96-0
• SMILES: CCCCC[n+]1c2ccccc2sc1C=CC=CC=C3N(c4ccccc4S3)CCCCC.[I-]
• InChI: 1S/C29H35N2S2.HI/c1-3-5-14-22-30-24-16-10-12-18-26(24)32-28(30)20-8-7-9-21-29-31(23-15-6-4-2)25-17-11-13-19-27(25)33-29;/h7-13,16-21H,3-6,14-15,22-23H2,1-2H3;1H/q+1;/p-1
• InChIKey: IDGJDXHDJJPLIE-UHFFFAOYSA-M