CID 6321394
PubChem CID
6321394
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
502.4 g/mol
Dates
- Create:2005-11-20
Chemical Structure Depiction
disodium;(3E)-4-oxo-3-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate
InChI=1S/C20H14N2O7S2.2Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h1-11,21H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b22-17+;;
OJNIRNOPCQQNRY-JZFXEGLSSA-L
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N/N=C/3\C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].[Na+]
C20H12N2Na2O7S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
502.4 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
501.98813164 g/mol
Property Name
Monoisotopic Mass
Property Value
501.98813164 g/mol
Property Name
Topological Polar Surface Area
Property Value
173A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
965
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
1
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
3
Property Name
Compound Is Canonicalized
Property Value
Yes
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CONTENTS