![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
2AN : Summary
Code ![](/pdbe/static/images/help.png)
|
2AN
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
8-ANILINO-1-NAPHTHALENE SULFONATE
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C16 H13 N O3 S
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
299.344 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=S(=O)(O)c3cccc2cccc(Nc1ccccc1)c23 |
SMILES
|
CACTVS |
3.370 |
O[S](=O)(=O)c1cccc2cccc(Nc3ccccc3)c12 |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O |
Canonical SMILES
|
CACTVS |
3.370 |
O[S](=O)(=O)c1cccc2cccc(Nc3ccccc3)c12 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FWEOQOXTVHGIFQ-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
34 (21 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)
|
1999-07-08
|
Last modified at ![](/pdbe/static/images/help.png)
|
2011-06-04
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|