108775-02-6
3-(4-PHENYL-2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE TRISULFONIC ACID, TRISODIUM SALT
Name3-(4-PHENYL-2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE TRISULFONIC ACID, TRISODIUM SALT
pro_formulaC26 H15 N4 O9 S3 . 3 Na
1Identification
【Name】
3-(4-PHENYL-2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE TRISULFONIC ACID, TRISODIUM SALT
【CAS】
【MDL】
MFCD00467350
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H15 N4 O9 S3 . 3 Na
【pro_molWeight】
692.591
【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
【SMILES】
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+]
【MOL File】
3-(4-PHENYL-2-PYRIDY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:13
XLogP3:0.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
3-(4-PHENYL-2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE TRISULFONIC ACID, TRISODIUM SALT.cml