3-Pentyl-2-[(1E,3E,5E,7Z)-7-(3-Pentyl-1,3-Benzothiazol-2-Ylidene)Hepta-1,3,5-Trienyl]-1,3-Benzothiazol-3-Ium Iodide
[CAS# 159021-02-0]

Identification

• Name: 3-Pentyl-2-[(1E,3E,5E,7Z)-7-(3-Pentyl-1,3-Benzothiazol-2-Ylidene)Hepta-1,3,5-Trienyl]-1,3-Benzothiazol-3-Ium Iodide
• Synonyms: 3-Amyl-2-[(1E,3E,5E,7Z)-7-(3-Amyl-1,3-Benzothiazol-2-Ylidene)Hepta-1,3,5-Trienyl]-1,3-Benzothiazol-3-Ium Iodide; 3,3'-Dipentylthiacarbocyanine; 3,3'-Dipentylthiacarbocyanine Iodide
• Molecular Formula: C₃₁H₃₇IN₂S₂
• Molecular Weight: 628.67
• CAS Registry Number: 159021-02-0
• SMILES: C1=CC=CC2=C1[N+](=C(S2)C=CC=C/C=C/C=C/3SC4=C(N3CCCCC)C=CC=C4)CCCCC.[I-]
• InChI: 1S/C31H37N2S2.HI/c1-3-5-16-24-32-26-18-12-14-20-28(26)34-30(32)22-10-8-7-9-11-23-31-33(25-17-6-4-2)27-19-13-15-21-29(27)35-31;/h7-15,18-23H,3-6,16-17,24-25H2,1-2H3;1H/q+1;/p-1
• InChIKey: LMEUJOYPQQOSLU-UHFFFAOYSA-M