N,N-二乙基乙铵3-[(2Z)-5-氯-2-{[(3E)-3-{[5-氯-3-(3-磺酸丙基)-1,3-苯并噻唑-3-鎓-2-基]亚甲基}-2,5,5-三甲基-1-环己烯-1-基]亚甲基}-1,3-苯并噻唑-3(2H)-基]-1-丙烷磺酸酯
[CAS# 202135-09-9]

基本信息

• 产品名称: N,N-二乙基乙铵3-[(2Z)-5-氯-2-{[(3E)-3-{[5-氯-3-(3-磺酸丙基)-1,3-苯并噻唑-3-鎓-2-基]亚甲基}-2,5,5-三甲基-1-环己烯-1-基]亚甲基}-1,3-苯并噻唑-3(2H)-基]-1-丙烷磺酸酯
• 英文名: N,N-Diethylethanaminium 3-[(2Z)-5-chloro-2-{[(3E)-3-{[5-chloro-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylene}-2,5,5-trimethyl-1-cyclohexen-1-yl]methylene}-1,3-benzothiazol-3(2H)-yl]-1-propanesulfonate
• 别名: Benzothiazolium, 5-chloro-2-[[3-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-2,5,5-trimethyl-2-cyclohexen-1-ylidene]methyl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1) (9CI); N,N-diethyl-1-ethanaminium 3-{5-chloro-2-[(Z)-(3-{(E)-[5-chloro-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene}-2,5,5-trimethyl-1-cyclohexen-1-yl)methylidene]-1,3-benzothiazol-3-yl}-1-p; N,N-diethyl-1-ethanaminium 3-{5-chloro-2-[(Z)-(3-{(E)-[5-chloro-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene}-2,5,5-trimethyl-1-cyclohexen-1-yl)methylidene]-1,3-benzothiazol-3-yl}-1-propanesulfonate
• 分子式: C₃₇H₄₉Cl₂N₃O₆S₄
• 分子量: 830.97
• CAS 登录号: 202135-09-9
• 分子行输入简码 SMILES: CC[NH+](CC)CC.CC1=C(CC(CC1=Cc2[n+](c3cc(ccc3s2)Cl)CCCS(=O)(=O)[O-])(C)C)C=C4N(c5cc(ccc5S4)Cl)CCCS(=O)(=O)[O-]
• 国际化学标识码 InChI: 1S/C31H34Cl2N2O6S4.C6H15N/c1-20-21(14-29-34(10-4-12-44(36,37)38)25-16-23(32)6-8-27(25)42-29)18-31(2,3)19-22(20)15-30-35(11-5-13-45(39,40)41)26-17-24(33)7-9-28(26)43-30;1-4-7(5-2)6-3/h6-9,14-17H,4-5,10-13,18-19H2,1-3H3,(H-,36,37,38,39,40,41);4-6H2,1-3H3
• 国际化学标识检索码 InChIKey: QHWFOIQMQRNAQK-UHFFFAOYSA-N

物理化学性质

• 折射率: （计算值）