2-[(E)-2-{(3E)-2-Chloro-3-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-5-methyl-1-cyclohexen-1-yl}vinyl]-3-ethyl-1,3-benzothiazol-3-ium iodide
[CAS# 69415-12-9]

Identification

• Name: 2-[(E)-2-{(3E)-2-Chloro-3-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-5-methyl-1-cyclohexen-1-yl}vinyl]-3-ethyl-1,3-benzothiazol-3-ium iodide
• Synonyms: 2-[(E)-2-(2-chloro-3-{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-5-methyl-1-cyclohexen-1-yl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 2-[2-[2-chloro-3-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-5-methyl-1-cyclohexen-1-yl]ethenyl]-3-ethyl-, iodide (9CI)
• Molecular Formula: C₂₉H₃₀ClIN₂S₂
• Molecular Weight: 633.05
• CAS Registry Number: 69415-12-9
• SMILES: CC[n+]1c2ccccc2sc1C=CC3=C(C(=CC=C4N(c5ccccc5S4)CC)CC(C3)C)Cl.[I-]
• InChI: 1S/C29H30ClN2S2.HI/c1-4-31-23-10-6-8-12-25(23)33-27(31)16-14-21-18-20(3)19-22(29(21)30)15-17-28-32(5-2)24-11-7-9-13-26(24)34-28;/h6-17,20H,4-5,18-19H2,1-3H3;1H/q+1;/p-1
• InChIKey: OTAHJUTVEHQZLR-UHFFFAOYSA-M