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SO4 : Summary
Code 
|
SO4
|
One-letter code 
|
X
|
Molecule name 
|
SULFATE ION
|
Systematic names 
|
|
Formula 
|
O4 S
|
Formal charge 
|
-2
|
Molecular weight 
|
96.063 Da
|
SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
[O-]S([O-])(=O)=O |
SMILES
|
CACTVS |
3.341 |
[O-][S]([O-])(=O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
[O-]S(=O)(=O)[O-] |
Canonical SMILES
|
CACTVS |
3.341 |
[O-][S]([O-])(=O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
[O-]S(=O)(=O)[O-] |
|
IUPAC InChI  | InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2 |
IUPAC InChI key  | QAOWNCQODCNURD-UHFFFAOYSA-L |
|
wwPDB Information |
Atom count 
|
5 (5 without Hydrogen)
|
Polymer type 
|
Bound ligand
|
Type description 
|
NON-POLYMER
|
Type code 
|
HETAI
|
Is modified 
|
No
|
Standard parent 
|
Not Assigned
|
Defined at 
|
1999-07-08
|
Last modified at 
|
2011-06-04
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Status 
|
Released
|
Obsoleted 
|
Not Assigned
|
|