基本信息 |
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产品名称: | 3-CARBOXYMETHYL-5-(3-CARBOXYMETHYL-5-[2-(3-(3-SULFOPROPYL)-2,3-DIHYDRO-BENZOTHIAZOL-2-YLIDENE)ETHYLIDENE]-4-OXO-THIAZOL-2-YLIDENE)-4-OXO-2-THIOXOTHIAZOLE INNER SALT TRISODIUM SALT-PENTAHYDRATE |
英文同义词: | 3-CARBOXYMETHYL-5-(3-CARBOXYMETHYL-5-[2-(3-(3-SULFOPROPYL)-2,3-DIHYDRO-BENZOTHIAZOL-2-YLIDENE)ETHYLIDENE]-4-OXO-THIAZOL-2-YLIDENE)-4-OXO-2-THIOXOTHIAZOLE INNER SALT TRISODIUM SALT-PENTAHYDRATE |
MDL号: | MFCD00167161 |
氢键受体数量: | 12 |
氢键供体数量: | 0 |
Smile: | c1ccc2c(c1)N(/C(=C/C=c/3\c(=O)n(/c(=C/4\C(=O)N(C(=S)S4)CC(=O)[O-])/s3)CC(=O)[O-])/S2)CCCS(=O)(=O)[O-].O.O.O.O.O.[Na+].[Na+].[Na+] |
InChi: | InChI=1S/C22H19N3O9S5.3Na.5H2O/c26-16(27)10-24-19(30)14(37-21(24)18-20(31)25(11-17(28)29)22(35)38-18)6-7-15-23(8-3-9-39(32,33)34)12-4-1-2-5-13(12)36-15;;;;;;;;/h1-2,4-7H,3,8-11H2,(H,26,27)(H,28,29)(H,32,33,34);;;;5*1H2/q;3*+1;;;;;/p-3/b14-6+,15-7-,21-18-;;;;;;;; |
InChiKey: | InChIKey=XGFPGUPMLMFZQD-XUWSWVFJSA-K |
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