Compound Summary for: CID 26256

Molecular Formula: C5FeN6Na2O-4   Molecular Weight: 261.917639   InChIKey: BEHXAXWKTXYOGJ-UHFFFAOYSA-N
Compound Information
CID 26256
Create Date: 2004-09-16
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 261.917639 [g/mol]
Molecular FormulaC5FeN6Na2O-4
H-Bond Donor0
H-Bond Acceptor12
Rotatable Bond Count0
Exact Mass261.927835
MonoIsotopic Mass261.927835
Topological Polar Surface Area137
Heavy Atom Count15
Formal Charge-4
Complexity119
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count9
Descriptors
IUPAC Namedisodium;iron;nitroxyl anion;pentacyanide
InChIInChI=1S/5CN.Fe.NO.2Na/c5*1-2;;1-2;;/q5*-1;;-1;2*+1
InChIKeyBEHXAXWKTXYOGJ-UHFFFAOYSA-N
Canonical SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.[Na+].[Na+].[Fe]
Isomeric SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.[Na+].[Na+].[Fe]
Old Version Substance Information