2-[(E)-2-{(3E)-2-(Dimethylamino)-3-[(2Z)-2-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Ethylidene]-1-Cyclopenten-1-Yl}Vinyl]-3-Ethyl-1,3-Benzothiazol-3-Ium Perchlorate
[CAS# 33628-25-0]

Identification

• Name: 2-[(E)-2-{(3E)-2-(Dimethylamino)-3-[(2Z)-2-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Ethylidene]-1-Cyclopenten-1-Yl}Vinyl]-3-Ethyl-1,3-Benzothiazol-3-Ium Perchlorate
• Synonyms: 2-[(E)-2-(2-(dimethylamino)-3-{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-1-cyclopenten-1-yl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium perchlorate; Benzothiazolium, 2-[2-[2-(dimethylamino)-3-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-ethyl-, perchlorate (9CI); ; Benzothiazolium, 2-[2-[2-(dimethylamino)-3-[2-(3-ethyl-2-benzothiazolinylidene)ethylidene]-1-cyclopenten-1-yl]vinyl]-3-ethyl-, perchlorate (8CI); ; 11-Dimethylamino-3,3'-diethyl-10,12-ethylenethiatricarbocyanine perchlorate
• Molecular Formula: C₂₉H₃₂ClN₃O₄S₂
• Molecular Weight: 586.17
• CAS Registry Number: 33628-25-0
• SMILES: CC[n+]1c2ccccc2sc1C=CC3=C(C(=CC=C4N(c5ccccc5S4)CC)CC3)N(C)C.[O-]Cl(=O)(=O)=O
• InChI: 1S/C29H32N3S2.ClHO4/c1-5-31-23-11-7-9-13-25(23)33-27(31)19-17-21-15-16-22(29(21)30(3)4)18-20-28-32(6-2)24-12-8-10-14-26(24)34-28;2-1(3,4)5/h7-14,17-20H,5-6,15-16H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
• InChIKey: KTCHWGDMCSVSTD-UHFFFAOYSA-M