2-[(3Z)-2-Chloro-3-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)-1-Cyclopenten-1-Yl]-3-Ethyl-1,3-Benzothiazol-3-Ium Perchlorate
[CAS# 485403-51-8]

Identification

• Name: 2-[(3Z)-2-Chloro-3-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)-1-Cyclopenten-1-Yl]-3-Ethyl-1,3-Benzothiazol-3-Ium Perchlorate
• Synonyms: 2-{2-chloro-3-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]-1-cyclopenten-1-yl}-3-ethyl-1,3-benzothiazol-3-ium perchlorate; Benzothiazolium, 2-[2-chloro-3-(3-ethyl-2(3H)-benzothiazolylidene)-1-cyclopenten-1-yl]-3-ethyl-, perchlorate (9CI)
• Molecular Formula: C₂₃H₂₂Cl₂N₂O₄S₂
• Molecular Weight: 525.47
• CAS Registry Number: 485403-51-8
• SMILES: CC[n+]1c2ccccc2sc1C3=C(C(=C4N(c5ccccc5S4)CC)CC3)Cl.[O-]Cl(=O)(=O)=O
• InChI: 1S/C23H22ClN2S2.ClHO4/c1-3-25-17-9-5-7-11-19(17)27-22(25)15-13-14-16(21(15)24)23-26(4-2)18-10-6-8-12-20(18)28-23;2-1(3,4)5/h5-12H,3-4,13-14H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
• InChIKey: DHDJYVMFFOSPDB-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)