3,6-二(乙基氨基)-9-(2-(甲氧羰基)苯基)-2,7-二甲基-呫吨鎓 2(or 5)-十二烷基-5(or 2)-(磺基苯氧基)苯磺酸盐(2:1)
[CAS# 108512-51-2]

基本信息

• 产品名称: 3,6-二(乙基氨基)-9-(2-(甲氧羰基)苯基)-2,7-二甲基-呫吨鎓 2(or 5)-十二烷基-5(or 2)-(磺基苯氧基)苯磺酸盐(2:1)
• 英文名: 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-Xanthylium salt with 2(or 5)-dodecyl-5(or 2)-(sulfophenoxy)benzenesulfonic acid (2:1)
• 别名: 2-Dodecyl-5-(2-Sulfophenoxy)Benzenesulfonic Acid; Ethyl-[6-Ethylamino-9-(2-Methoxycarbonylphenyl)-2,7-Dimethyl-Xanthen-3-Ylidene]Ammonium; 2-Dodecyl-5-(2-Sulfophenoxy)Benzenesulfonic Acid; Ethyl-[6-Ethylamino-9-(2-Methoxycarbonylphenyl)-2,7-Dimethyl-3-Xanthenylidene]Ammonium; [9-(2-Carbomethoxyphenyl)-6-Ethylamino-2,7-Dimethyl-Xanthen-3-Ylidene]-Ethyl-Ammonium; 2-Lauryl-5-(2-Sulfophenoxy)Benzenesulfonic Acid
• 分子式: C₇₈H₉₂N₄O₁₃S₂
• 分子量: 1357.72
• CAS 登录号: 108512-51-2
• 分子行输入简码 SMILES: [O+]1=C4C(=C(C2=CC(=C(NCC)C=C12)C)C3=CC=CC=C3C(OC)=O)C=C(C(=C4)NCC)C.[O+]5=C8C(=C(C6=C5C=C(NCC)C(=C6)C)C7=C(C=CC=C7)C(OC)=O)C=C(C(=C8)NCC)C.C9=CC(=CC(=C9CCCCCCCCCCCC)[S](O)(=O)=O)OC%10=CC=CC=C%10[S](O)(=O)=O
• 国际化学标识码 InChI: 1S/2C27H29N2O3.C24H34O7S2/c2*1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24;1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-21(19-24(20)33(28,29)30)31-22-15-12-13-16-23(22)32(25,26)27/h2*8-15,28-29H,6-7H2,1-5H3;12-13,15-19H,2-11,14H2,1H3,(H,25,26,27)(H,28,29,30)/q2*+1
• 国际化学标识检索码 InChIKey: CQKOQIKGJPFIRW-UHFFFAOYSA-N