1,2,3,3-Tetramethyl-3H-Indolium Chloride - (2Z)-2-[(2E)-2-(2-Chloro-3-Vinyl-2-Cyclopenten-1-Ylidene)Ethylidene]-1,3,3-Trimethylindoline (1:1:1)
[CAS# 110992-55-7]

Identification

• Name: 1,2,3,3-Tetramethyl-3H-Indolium Chloride - (2Z)-2-[(2E)-2-(2-Chloro-3-Vinyl-2-Cyclopenten-1-Ylidene)Ethylidene]-1,3,3-Trimethylindoline (1:1:1)
• Synonyms: 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl-ethenyl]-1,3,3-trimethyl-3H-indolium chloride; IR-797 chloride; 642339_ALDRICH
• Molecular Formula: C₃₂H₃₈Cl₂N₂
• Molecular Weight: 521.56
• CAS Registry Number: 110992-55-7
• SMILES: [Cl-].Cl/C/1=C(\C=C)CCC\1=C\C=C3/N(c2ccccc2C3(C)C)C.[N+]=2(c1ccccc1C(C=2C)(C)C)C
• InChI: 1S/C20H22ClN.C12H16N.ClH/c1-5-14-10-11-15(19(14)21)12-13-18-20(2,3)16-8-6-7-9-17(16)22(18)4;1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;/h5-9,12-13H,1,10-11H2,2-4H3;5-8H,1-4H3;1H/q;+1;/p-1/b15-12+,18-13-
• InChIKey: KEWMSVUJNINVSX-GALIVRIZSA-M

Properties

• Refractive index: (Cal.)