Chemical Compound

DTXSID201006544

CAS Registry Number 85959-31-5
DTXSID201006544 chemical structure
Primary Record

DTXSID201006544

In stock
8,787 g
Purity
98.3 %
CAS
85959-31-5

Compound Identifiers & Properties

CAS
85959-31-5
PubChem CID
138402585
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=N)C(=CC3=NC4=CC(=C(C=C4)S(=O)(=O)O)N=C5N=C(NC(=N5)[O-])N6C=CC(=C([O-])[O-])C=C6)S(=O)(=O)O.[Na+].[Na+].[Na+].Cl
Canonical SMILES
Cl.N=c1c(S(=O)(=O)O)cc(=Nc2ccc(S(=O)(=O)O)c(N=c3nc([O-])[nH]c(N4C=CC(=C([O-])[O-])C=C4)n3)c2)c2c(=O)c3ccccc3c(=O)c1=2.[Na+].[Na+].[Na+]

Names & Synonyms

  • DTXSID201006544
  • 85959-31-5
  • Sodium {1-[4-({5-[(4-imino-9,10-dioxo-3-sulfo-9,10-dihydroanthracen-1(4H)-ylidene)amino]-2-sulfophenyl}imino)-6-oxido-1,4-dihydro-1,3,5-triazin-2-yl]pyridin-4(1H)-ylidene}methanebis(olate)--hydrogen chloride (3/1/1)