基本信息
产品名称 |
3-乙基-2-[(E)-{3-[(Z)-(3-乙基-1,3-苯并噻唑-2(3H)-亚基)甲基]-5,5-二甲基-2-环己烯-1-亚基}甲基]-5-甲氧基-1,3-苯并噻唑-3-鎓4-甲基苯磺酸酯 |
英文名 |
3-Ethyl-2-[(E)-{3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-5,5-Dimethyl-2-Cyclohexen-1-Ylidene}Methyl]-5-Methoxy-1,3-Benzothiazol-3-Ium 4-Methylbenzenesulfonate |
别名 |
3-ethyl-2-[(3-{[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)methyl]-5-methoxy-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate; Benzothiazolium, 3-ethyl-2-[[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-5-methoxy-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI) |
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分子结构 |
![CAS 登录号:104434-09-5, 3-乙基-2-[(E)-{3-[(Z)-(3-乙基-1,3-苯并噻唑-2(3H)-亚基)甲基]-5,5-二甲基-2-环己烯-1-亚基}甲基]-5-甲氧基-1,3-苯并噻唑-3-鎓4-甲基苯磺酸酯](/moreStructures/104434-09-5.gif) |
分子式 |
C36H40N2O4S3 |
分子量 |
660.91 |
CAS 登录号 |
104434-09-5 |
分子行输入简码 SMILES |
CC[n+]1c2cc(ccc2sc1C=C3CC(CC(=C3)C=C4N(c5ccccc5S4)CC)(C)C)OC.Cc1ccc(cc1)S(=O)(=O)[O-] |
国际化学标识码 InChI |
1S/C29H33N2OS2.C7H8O3S/c1-6-30-23-10-8-9-11-25(23)33-27(30)15-20-14-21(19-29(3,4)18-20)16-28-31(7-2)24-17-22(32-5)12-13-26(24)34-28;1-6-2-4-7(5-3-6)11(8,9)10/h8-17H,6-7,18-19H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
国际化学标识检索码 InChIKey |
FYEZFRZHCMEESR-UHFFFAOYSA-M |
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