butyl 4-[(2E)-2-[(2E,4E,6E)-7-[1-(4-butoxysulfonylbutyl)-3,3-dimethylbenzo[g]indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethylbenzo[g]indol-1-yl]butane-1-sulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: butyl 4-[(2E)-2-[(2E,4E,6E)-7-[1-(4-butoxysulfonylbutyl)-3,3-dimethylbenzo[g]indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethylbenzo[g]indol-1-yl]butane-1-sulfonate
• 化学式: C51H65N2O6S2+
• 分子量: 866.2
• InChiKey: ZHSPJSSAHALCEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.1
• 重原子数：
  61
• 可旋转键数：
  22
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• INKS, COATINGS AND ADHESIVES AS CARRIERS FOR TAGGANTS FOR TOBACCO PRODUCT AUTHENTICATION AND COMPONENT DETECTION
  申请人：ALTRIA CLIENT SERVICES INC.

  公开号：US20160108293A1

  公开（公告）日：2016-04-21

  Organic, fluorescent taggants and compositions thereof which find use in the production, detection and authentication of tobacco products and components thereof. A process for authentication of a tobacco product is also disclosed, the process including the steps of marking the tobacco product with a taggant composition comprising an organic, fluorescent taggant and a carrier for the taggant; irradiating the tobacco product with invisible radiation; and detecting fluorescence from the taggant. Adhesive and ink compositions are also disclosed.