Chemical Compound

C36H38N2Na4O13S

CAS Registry Number 1945-77-3
C36H38N2Na4O13S chemical structure
Primary Record

C36H38N2Na4O13S

In stock
8,362 g
Purity
99.0 %
CAS
1945-77-3

Compound Identifiers & Properties

CAS
1945-77-3
PubChem CID
163342319
SMILES
CC1=C(C=C(C(=C1CN(CC(=O)[O-])CC(=O)[O-])O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C=C4)C(C)C)O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Canonical SMILES
Cc1c(C2(c3ccc(C(C)C)c(O)c3CN(CC(=O)[O-])CC(=O)[O-])OS(=O)(=O)c3ccccc32)cc(C(C)C)c(O)c1CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Names & Synonyms

  • C36H38N2Na4O13S
  • MFCD00148905
  • 1945-77-3
  • tetrasodium;2-[[5-[3-[2-[[bis(carboxylatomethyl)amino]methyl]-3-hydroxy-4-isopropyl-phenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-isopropyl-6-methyl-phenyl]methyl-(carboxylatomethyl)amino]acetate
  • Tetrasodium;2-[[5-[3-[2-[[bis(carboxylatomethyl)amino]methyl]-3-hydroxy-4-propan-2-ylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate