DIAMINE BLUE 3 B

CAS号
CCD编号
CCD08204214
分子式
C35 H25 N5 O14 S4 . 4 Na
分子量
959.828

基本信息

产品名称: DIAMINE BLUE 3 B
英文同义词: DIAMINE BLUE 3 B
MDL号: MFCD07189473
氢键受体数量: 19
氢键供体数量: 3
Smile: Cc1cc(ccc1/N=N\c2c(cc3cc(cc(c3c2O)C)S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(c(c4)C)/N=N\c5c(cc6cc(cc(c6c5O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChi: InChI=1S/C35H29N5O14S4.4Na/c1-16-8-19(4-6-26(16)37-39-32-28(57(49,50)51)13-21-11-23(55(43,44)45)10-18(3)30(21)34(32)41)20-5-7-27(17(2)9-20)38-40-33-29(58(52,53)54)14-22-12-24(56(46,47)48)15-25(36)31(22)35(33)42;;;;/h4-15,41-42H,36H2,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37-,40-38-;;;;
InChiKey: InChIKey=QGWCJNOUJHKGMM-MCOZZWBDSA-J

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