3,3',3''-(1,3,5-Triazine-2,4,6-triyltriimino)tris[2-hydroxy-5-sulfo-benzoic acid trisodium salt

Base Information

• Chemical Name: 3,3',3''-(1,3,5-Triazine-2,4,6-triyltriimino)tris[2-hydroxy-5-sulfo-benzoic acid trisodium salt
• CAS No.: 79135-90-3
• Molecular Formula: C24H18 N6 O18 S3 . 3 Na
• Molecular Weight: 840.57
• European Community (EC) Number: 279-091-6
• DSSTox Substance ID: DTXSID101000298
• Mol file: 79135-90-3.mol

Synonyms:79135-90-3;3,3',3''-(1,3,5-Triazine-2,4,6-triyltriimino)tris[2-hydroxy-5-sulfo-benzoic acid trisodium salt;C24H18N6O18S3.3Na;DTXSID101000298;C24-H18-N6-O18-S3.3Na;FT-0721506;3,3,3-(1,3,5-TRIAZINE-2,4,6-TRIYLTRIIMINO)TRIS[2-HYDROXY-5-SULFO-BENZOICACIDTRISODIUMSALT;Benzoic acid, 3,3',3''-(1,3,5-triazine- 2,4,6-triyltriimino)tris[2-hydroxy-5-sulfo-, trisodium salt;Trisodium 4,4'-[{6-[(5-carboxy-4-oxido-2-sulfophenyl)imino]-1,3,5-triazinane-2,4-diylidene}bis(azanylylidene)]bis(2-carboxy-6-sulfophenolate)

Chemical Property of 3,3',3''-(1,3,5-Triazine-2,4,6-triyltriimino)tris[2-hydroxy-5-sulfo-benzoic acid trisodium salt

Chemical Property:

• PSA: 444.09000
• Density: 1.96g/cm3 at 19.98℃
• LogP: 3.48750
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 9
• Exact Mass: 839.92980402
• Heavy Atom Count: 54
• Complexity: 1390

Purity/Quality:

99.9% ^*data from raw suppliers

3,3',3''-(1,3,5-TRIAZINE-2,4,6-TRIYLTRIIMINO)TRIS[2-HYDROXY-5-SULFO-BENZOIC ACID] TRISODIUM SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)O)NC2=NC(=NC(=N2)NC3=CC(=CC(=C3O)C(=O)O)S(=O)(=O)[O-])NC4=CC(=CC(=C4O)C(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]