 |
EOH : Summary
Code 
|
EOH
|
One-letter code 
|
X
|
Molecule name 
|
ETHANOL
|
Systematic names 
|
|
Formula 
|
C2 H6 O
|
Formal charge 
|
0
|
Molecular weight 
|
46.068 Da
|
SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
11.02 |
OCC |
SMILES
|
CACTVS |
3.352 |
CCO |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
CCO |
Canonical SMILES
|
CACTVS |
3.352 |
CCO |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
CCO |
|
IUPAC InChI  | InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 |
IUPAC InChI key  | LFQSCWFLJHTTHZ-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count 
|
9 (3 without Hydrogen)
|
Polymer type 
|
Bound ligand
|
Type description 
|
NON-POLYMER
|
Type code 
|
HETAIN
|
Is modified 
|
No
|
Standard parent 
|
Not Assigned
|
Defined at 
|
1999-07-08
|
Last modified at 
|
2011-06-04
|
Status 
|
Released
|
Obsoleted 
|
Not Assigned
|
|