tetrasodium1-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfonatopropyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonate

tetrasodium;1-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfonatopropyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonate

CAS: 133-65-3

Molecular Formula	`C30H28N2Na4O14S5`
Molecular Weight	892.8 g/mol
Topological Polar Surface Area	329.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	16
Rotatable Bonds	12
Exact Mass	891.9735
Heavy Atoms	55
Complexity	1490.0

Chemical Identifiers

CAS Number	133-65-3
SMILES	`C1=CC=C(C=C1)C(CC(NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(CC(C4=CC=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]`
InChIKey	`WAGUNVVOQBKLDL-UHFFFAOYSA-J`

📖 Product Overview

tetrasodium1-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfonatopropyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonate (CAS: 133-65-3) is a chemical compound with molecular formula C30H28N2Na4O14S5 and molecular weight 892.8 g/mol. Its IUPAC systematic name is tetrasodium;1-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfonatopropyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonate. Topological Polar Surface Area 329.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 16 Rotatable Bonds 12 Exact Mass 891.9735 Heavy Atoms 55 Complexity 1490.0 InChI Key: WAGUNVVOQBKLDL-UHFFFAOYSA-J. SMILES: C1=CC=C(C=C1)C(CC(NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(CC(C4=CC=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].

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