1-Ethyl-2-[(E)-{3-[(Z)-(1-Ethylnaphtho[1,2-d][1,3]Thiazol-2(1H)-Ylidene)Methyl]-2,5,5-Trimethyl-2-Cyclohexen-1-Ylidene}Methyl]Naphtho[1,2-d][1,3]Thiazol-1-Ium 4-Methylbenzenesulfonate
[CAS# 202135-13-5]

Identification

• Name: 1-Ethyl-2-[(E)-{3-[(Z)-(1-Ethylnaphtho[1,2-d][1,3]Thiazol-2(1H)-Ylidene)Methyl]-2,5,5-Trimethyl-2-Cyclohexen-1-Ylidene}Methyl]Naphtho[1,2-d][1,3]Thiazol-1-Ium 4-Methylbenzenesulfonate
• Synonyms: 1-ETHYL-2-[(3-([1-ETHYLNAPHTHO[1,2-D][1,3]THIAZOL-2(1H)-YLIDENE]METHYL)-2,5,5-TRIMETHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]NAPHTHO[1,2-D][1,3]THIAZOL-1-IUM 4-METHYLBENZENESULFONATE; 1-ethyl-2-[(3-{[1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene]methyl}-2,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl]naphtho[1,2-d][1,3]thiazol-1-ium 4-methylbenzenesulfonate
• Molecular Formula: C₄₄H₄₄N₂O₃S₃
• Molecular Weight: 745.03
• CAS Registry Number: 202135-13-5
• SMILES: CC[n+]1c(sc2c1c3ccccc3cc2)C=C4CC(CC(=C4C)C=C5N(c6c7ccccc7ccc6S5)CC)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-]
• InChI: 1S/C37H37N2S2.C7H8O3S/c1-6-38-33(40-31-18-16-25-12-8-10-14-29(25)35(31)38)20-27-22-37(4,5)23-28(24(27)3)21-34-39(7-2)36-30-15-11-9-13-26(30)17-19-32(36)41-34;1-6-2-4-7(5-3-6)11(8,9)10/h8-21H,6-7,22-23H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: XINYNYPWXJXZFN-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)