Chemical Compound

DTXSID701361680

CAS Registry Number 83968-59-6
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DTXSID701361680 chemical structure
Primary Record

DTXSID701361680

In stock
784 g
Purity
99.0 %
CAS
83968-59-6

Compound Identifiers & Properties

CAS
83968-59-6
PubChem CID
177842229
SMILES
CC[NH+](CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC3=[N+](C4=C(C=CC(=C4)NC5=C(C=C(C=C5)NC6=NC(=NC(=N6)NC7=CC(=CC=C7)P(=O)([O-])[O-])Cl)S(=O)(=O)[O-])N=C3C=C2)C8=CC(=C(C=C8)OC)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Canonical SMILES
CC[NH+](Cc1cccc(S(=O)(=O)[O-])c1)c1ccc2nc3ccc(Nc4ccc(Nc5nc(Cl)nc(Nc6cccc(P(=O)([O-])[O-])c6)n5)cc4S(=O)(=O)[O-])cc3[n+](-c3ccc(OC)c(S(=O)(=O)[O-])c3)c2c1.[Na+].[Na+].[Na+]

Names & Synonyms

  • DTXSID701361680
  • 83968-59-6
  • Phenazinium, 3-[[4-[[4-chloro-6-[(3-phosphonophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-methoxy-3-sulfophenyl)-, inner salt, sodium salt (1:3)