3-(4-PHENYL-2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE TRISULFONIC ACID, TRISODIUM SALT

CAS号
108775-02-6
CCD编号
CCD00135904
分子式
C26 H15 N4 O9 S3 . 3 Na
分子量
692.591

基本信息

产品名称: 3-(4-PHENYL-2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE TRISULFONIC ACID, TRISODIUM SALT
CAS: 108775-02-6
英文同义词: 3-(4-PHENYL-2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE TRISULFONIC ACID, TRISODIUM SALT ; PPDTS, TRISODIUM SALT
MDL号: MFCD00467350
氢键受体数量: 13
氢键供体数量: 0
Smile: c1cc(ccc1c2ccc(nc2)c3nc(c(nn3)c4ccc(cc4)S(=O)(=O)[O-])c5ccc(cc5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChi: InChI=1S/C26H18N4O9S3.3Na/c31-40(32,33)20-8-1-16(2-9-20)19-7-14-23(27-15-19)26-28-24(17-3-10-21(11-4-17)41(34,35)36)25(29-30-26)18-5-12-22(13-6-18)42(37,38)39;;;/h1-15H,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3
InChiKey: InChIKey=VCTGTJOFOGOICQ-UHFFFAOYSA-K

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