Structure Database (LMSD)
Common Name
DNDS
Systematic Name
Synonyms
- 4,4'-dinitrostilbene-2,2'-disulfonic acid
3D model of DNDS
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
UETHPMGVZHBAFB-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C14H10N2O10S2/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26/h1-8H,(H,21,22,23)(H,24,25,26)/b2-1+
SMILES (Click to copy)
C1([N+]([O-])=O)=CC=C(/C=C/C2=C(S(O)(=O)=O)C=C([N+](=O)[O-])C=C2)C(S(O)(=O)=O)=C1
References
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
2
Aromatic Rings
2
Rotatable Bonds
6
Van der Waals Molecular Volume
327.40
Topological Polar Surface Area
195.02
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
12
logP
4.67
Molar Refractivity
94.56
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Created at
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Updated at
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