3-Ethyl-2-{(E)-2-[(3E)-3-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-(phenylsulfanyl)-1-cyclohexen-1-yl]vinyl}-1,3-benzothiazol-3-ium iodide
[CAS# 70446-12-7]

Identification

• Name: 3-Ethyl-2-{(E)-2-[(3E)-3-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-(phenylsulfanyl)-1-cyclohexen-1-yl]vinyl}-1,3-benzothiazol-3-ium iodide
• Synonyms: 3-ethyl-2-{(E)-2-[3-{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2-(phenylsulfanyl)-1-cyclohexen-1-yl]ethenyl}-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 3-ethyl-2-[2-[3-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-(phenylthio)-1-cyclohexen-1-yl]ethenyl]-, iodide (9CI)
• Molecular Formula: C₃₄H₃₃IN₂S₃
• Molecular Weight: 692.74
• CAS Registry Number: 70446-12-7
• SMILES: [I-].S\1c6ccccc6N(C/1=C\C=C5\C(\Sc2ccccc2)=C(\C=C\c4sc3ccccc3[n+]4CC)CCC5)CC
• InChI: 1S/C34H33N2S3.HI/c1-3-35-28-17-8-10-19-30(28)38-32(35)23-21-25-13-12-14-26(34(25)37-27-15-6-5-7-16-27)22-24-33-36(4-2)29-18-9-11-20-31(29)39-33;/h5-11,15-24H,3-4,12-14H2,1-2H3;1H/q+1;/p-1
• InChIKey: YBUPBKKGZOVCQS-UHFFFAOYSA-M