2-[(5Z)-4,7-二(羧甲基)-3-[(4-异硫氰酸基苯基)甲基]-2,3,8,9-四氢-1,4,7-三氮杂环壬烷-1-基]乙酸
[CAS# 147597-66-8]

基本信息

• 产品名称: 2-[(5Z)-4,7-二(羧甲基)-3-[(4-异硫氰酸基苯基)甲基]-2,3,8,9-四氢-1,4,7-三氮杂环壬烷-1-基]乙酸
• 英文名: 2-[(5Z)-4,7-Bis(Carboxymethyl)-3-[(4-Isothiocyanatophenyl)Methyl]-2,3,8,9-Tetrahydro-1,4,7-Triazonin-1-Yl]Acetic Acid
• 别名: 2-[(5Z)-4,7-Bis(Carboxymethyl)-3-(4-Isothiocyanatobenzyl)-2,3,8,9-Tetrahydro-1,4,7-Triazonin-1-Yl]Acetic Acid; 2-[(5Z)-4,7-Bis(Carboxymethyl)-3-[(4-Isothiocyanatophenyl)Methyl]-2,3,8,9-Tetrahydro-1,4,7-Triazonin-1-Yl]Ethanoic Acid; 1H-1,4,7-Triazonine-1,4,7-Triacetic Acid, Hexahydro-2-((4-Isothiocyanatophenyl)Methyl)-
• 分子式: C₂₀H₂₄N₄O₆S
• 分子量: 448.49
• CAS 登录号: 147597-66-8
• 分子行输入简码 SMILES: S=C=NC2=CC=C(CC1N(\C=C/N(CCN(C1)CC(=O)O)CC(=O)O)CC(=O)O)C=C2
• 国际化学标识码 InChI: 1S/C20H24N4O6S/c25-18(26)11-22-5-6-23(12-19(27)28)10-17(24(8-7-22)13-20(29)30)9-15-1-3-16(4-2-15)21-14-31/h1-4,7-8,17H,5-6,9-13H2,(H,25,26)(H,27,28)(H,29,30)/b8-7-
• 国际化学标识检索码 InChIKey: JDNCFHZWJCDPHS-FPLPWBNLSA-N