5,10-BIS-(1-ETHYL-PYRIDIN-2-YL)-15,20-DIPHENYL-PORPHYRIN DITOSYLATE SALT

CAS号
CCD编号
CCD00783495
分子式
C46 H38 N6 . 2 C7 H7 O3 S
分子量
1017.24

基本信息

产品名称: 5,10-BIS-(1-ETHYL-PYRIDIN-2-YL)-15,20-DIPHENYL-PORPHYRIN DITOSYLATE SALT
英文同义词: 5,10-BIS-(1-ETHYL-PYRIDIN-2-YL)-15,20-DIPHENYL-PORPHYRIN DITOSYLATE SALT
MDL号: MFCD09752896
氢键受体数量: 6
氢键供体数量: 2
Smile: CC[n+]1ccccc1/c/2c/3\cc/c(/[nH]3)c(/c4n/c(c(\c5ccc([nH]5)/c(c/6\nc2C=C6)/c7cccc[n+]7CC)/c8ccccc8)/C=C4)\c9ccccc9.Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-]
InChi: InChI=1S/C46H37N6.2C7H8O3S/c1-3-51-29-13-11-19-41(51)45-37-25-23-35(48-37)43(31-15-7-5-8-16-31)33-21-22-34(47-33)44(32-17-9-6-10-18-32)36-24-26-38(49-36)46(40-28-27-39(45)50-40)42-20-12-14-30-52(42)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-30H,3-4H2,1-2H3,(H,47,48,49,50);2*2-5H,1H3,(H,8,9,10)/q+1;;/p-1/b43-33-,43-35-,44-34-,44-36-,45-37+,45-39+,46-38+,46-40+;;
InChiKey: InChIKey=MUPGKONVLAHELV-QQESLQFSSA-M

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