2-[(E)-2-{(3E)-2-Chloro-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# 69415-16-3]

Identification

• Name: 2-[(E)-2-{(3E)-2-Chloro-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-chloro-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-chloro-3-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-ethyl-, perchlorate (9CI)
• Molecular Formula: C₂₇H₂₆Cl₂N₂O₄S₂
• Molecular Weight: 577.54
• CAS Registry Number: 69415-16-3
• SMILES: CC[n+]1c2ccccc2sc1C=CC3=C(C(=CC=C4N(c5ccccc5S4)CC)CC3)Cl.[O-]Cl(=O)(=O)=O
• InChI: 1S/C27H26ClN2S2.ClHO4/c1-3-29-21-9-5-7-11-23(21)31-25(29)17-15-19-13-14-20(27(19)28)16-18-26-30(4-2)22-10-6-8-12-24(22)32-26;2-1(3,4)5/h5-12,15-18H,3-4,13-14H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
• InChIKey: LXKJAFZFAPHBAU-UHFFFAOYSA-M