2-{(5E)-2-[(E)-2-(3-Ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-1-cyclopenten-1-yl}-1-oxo-1H-inden-3-olate
[CAS# 89806-50-8]

Identification

• Name: 2-{(5E)-2-[(E)-2-(3-Ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-1-cyclopenten-1-yl}-1-oxo-1H-inden-3-olate
• Synonyms: 2-(2-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-1-cyclopenten-1-yl)-1-oxo-1H-inden-3-olate; Benzothiazolium, 3-ethyl-2-[2-[3-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-(3-hydroxy-1-oxo-1H-inden-2-yl)-1-cyclopenten-1-yl]ethenyl]-, inner salt (9CI)
• Molecular Formula: C₃₆H₃₀N₂O₂S₂
• Molecular Weight: 586.77
• CAS Registry Number: 89806-50-8
• SMILES: CC[n+]1c2ccccc2sc1C=CC3=C(C(=CC=C4N(c5ccccc5S4)CC)CC3)C6=C(c7ccccc7C6=O)[O-]
• InChI: 1S/C36H30N2O2S2/c1-3-37-27-13-7-9-15-29(27)41-31(37)21-19-23-17-18-24(20-22-32-38(4-2)28-14-8-10-16-30(28)42-32)33(23)34-35(39)25-11-5-6-12-26(25)36(34)40/h5-16,19-22H,3-4,17-18H2,1-2H3/b23-19+,31-21-
• InChIKey: IXPGQFPLEGSTJU-ZGADENPPSA-N