2-[(E)-2-{(3E)-2-(Dimethylamino)-3-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-1-cyclohexen-1-yl}vinyl]-3-ethyl-1,3-benzothiazol-3-ium iodide
[CAS# 70446-11-6]

Identification

• Name: 2-[(E)-2-{(3E)-2-(Dimethylamino)-3-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-1-cyclohexen-1-yl}vinyl]-3-ethyl-1,3-benzothiazol-3-ium iodide
• Synonyms: 2-[(E)-2-(2-(dimethylamino)-3-{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-1-cyclohexen-1-yl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 2-[2-[2-(dimethylamino)-3-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3-ethyl-, iodide (9CI)
• Molecular Formula: C₃₀H₃₄IN₃S₂
• Molecular Weight: 627.65
• CAS Registry Number: 70446-11-6
• SMILES: CC[n+]1c2ccccc2sc1C=CC3=C(C(=CC=C4N(c5ccccc5S4)CC)CCC3)N(C)C.[I-]
• InChI: 1S/C30H34N3S2.HI/c1-5-32-24-14-7-9-16-26(24)34-28(32)20-18-22-12-11-13-23(30(22)31(3)4)19-21-29-33(6-2)25-15-8-10-17-27(25)35-29;/h7-10,14-21H,5-6,11-13H2,1-4H3;1H/q+1;/p-1
• InChIKey: YNTQDNMFDYPKBR-UHFFFAOYSA-M