3-[(4-羟基-3-磺酸基苯基)(4-氧代-3-磺酸基-2,5-环己二烯-1-亚基)甲基]苯甲酸氢钙
[CAS# 63494-80-4]

基本信息

• 产品名称: 3-[(4-羟基-3-磺酸基苯基)(4-氧代-3-磺酸基-2,5-环己二烯-1-亚基)甲基]苯甲酸氢钙
• 英文名: Calcium Hydrogen 3-[(4-Hydroxy-3-Sulphonatophenyl)(4-Oxo-3-Sulphonato-2,5-Cyclohexadien-1-Ylidene)Methyl]Benzoate
• 别名: Calcium 5-[(Z)-(3-Carboxyphenyl)-(4-Oxo-3-Sulfonato-1-Cyclohexa-2,5-Dienylidene)Methyl]-2-Hydroxy-Benzenesulfonate; Calcium 5-[(Z)-(3-Carboxyphenyl)-(4-Keto-3-Sulfonato-1-Cyclohexa-2,5-Dienylidene)Methyl]-2-Hydroxy-Benzenesulfonate; Benzoic Acid, 3-((4-Hydroxy-3-Sulfophenyl)(4-Oxo-3-Sulfo-2,5-Cyclohexadien-1-Ylidene)Methyl)-, Calcium Salt (1:1)
• 分子式: C₂₀H₁₂CaO₁₀S₂
• 分子量: 516.51
• CAS 登录号: 63494-80-4
• EINECS 登录号: 264-272-4
• 分子行输入简码 SMILES: C1=C([S]([O-])(=O)=O)C(=CC=C1\C(=C2/C=C([S]([O-])(=O)=O)C(=O)C=C2)C3=CC=CC(=C3)C(=O)O)O.[Ca++]
• 国际化学标识码 InChI: 1S/C20H14O10S2.Ca/c21-15-6-4-12(9-17(15)31(25,26)27)19(11-2-1-3-14(8-11)20(23)24)13-5-7-16(22)18(10-13)32(28,29)30;/h1-10,21H,(H,23,24)(H,25,26,27)(H,28,29,30);/q;+2/p-2/b19-13-
• 国际化学标识检索码 InChIKey: BEORDIWGKSLKRP-OKOHOLKASA-L