Chemical Compound

RefChem:325513

CAS Registry Number 94108-89-1
RefChem:325513 chemical structure
Primary Record

RefChem:325513

In stock
2,300 g
Purity
98.5 %
CAS
94108-89-1

Compound Identifiers & Properties

CAS
94108-89-1
PubChem CID
44154092
SMILES
C1=CC(=CC=C1NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].C(CO)NCCO.C(CO)N(CCO)CCO.[Na+].[Na+].[Na+].[Na+]
Canonical SMILES
O=S(=O)([O-])c1ccc(Nc2nc(Nc3ccc(/C=C/c4ccc(Nc5nc(Nc6ccc(S(=O)(=O)[O-])cc6)nc(N(CCO)CCO)n5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)nc(N(CCO)CCO)n2)cc1.OCCN(CCO)CCO.OCCNCCO.[Na+].[Na+].[Na+].[Na+]

Names & Synonyms

  • RefChem:325513
  • EINECS 302-426-5
  • DTXSID90240594
  • DTXCID20163085
  • 94108-89-1
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-,sodium salt, compd. with 2,2'-iminobis(ethanol) and 2,2',2''-nitr ilotris(ethanol)
  • C40H44N12O16S4.xC6H15NO3.xC4H11NO2.xNa
  • C40-H44-N12-O16-S4.x-C6-H15-N-O3.x-C4-H11-N-O2.x-Na
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt, compd. with 2,2'-iminobis[ethanol] and 2,2',2''-nitrilotris[ethanol]