![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
VXN : Summary
Code ![](/pdbe/static/images/help.png)
|
VXN
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
4-chloranylbenzenesulfonic acid
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C6 H5 Cl O3 S
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
192.62 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
O[S](=O)(=O)c1ccc(Cl)cc1 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1S(=O)(=O)O)Cl |
Canonical SMILES
|
CACTVS |
3.385 |
O[S](=O)(=O)c1ccc(Cl)cc1 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1S(=O)(=O)O)Cl |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | RJWBTWIBUIGANW-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
16 (11 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
non-polymer
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2023-04-12
|
Last modified at ![](/pdbe/static/images/help.png)
|
2024-01-19
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|