4-[(E)-2-(2-Chloro-3-((E)-2-[1-Ethyl-4(1H)-Quinolinylidene]Ethylidene)-1-Cyclohexen-1-Yl)Ethenyl]-1-Ethylquinolinium 4-Methylbenzenesulfonate
[CAS# 155998-77-9]

Identification

• Name: 4-[(E)-2-(2-Chloro-3-((E)-2-[1-Ethyl-4(1H)-Quinolinylidene]Ethylidene)-1-Cyclohexen-1-Yl)Ethenyl]-1-Ethylquinolinium 4-Methylbenzenesulfonate
• Synonyms: QUINOLINIUM, 4-[2-[2-CHLORO-3-[(1-ETHYL-4(1H)-QUINOLINYLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-1-ETHYL-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:1); 4-[(E)-2-(2-CHLORO-3-((E)-2-[1-ETHYL-4(1H)-QUINOLINYLIDENE]ETHYLIDENE)-1-CYCLOHEXEN-1-YL)ETHENYL]-1-ETHYLQUINOLINIUM 4-METHYLBENZENESULFONATE; IR DYE 961ABS
• Molecular Formula: C₃₉H₃₉ClN₂O₃S
• Molecular Weight: 651.26
• CAS Registry Number: 155998-77-9
• SMILES: Cc1ccc(cc1)S(=O)(=O)[O-].CC[n+]1ccc(c2c1cccc2)/C=C/C1=C(Cl)/C(=C/C=c/2\ccn(c3c2cccc3)CC)/CCC1
• InChI: 1S/C32H32ClN2.C7H8O3S/c1-3-34-22-20-24(28-12-5-7-14-30(28)34)16-18-26-10-9-11-27(32(26)33)19-17-25-21-23-35(4-2)31-15-8-6-13-29(25)31;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,12-23H,3-4,9-11H2,1-2H3;2-5H,