Structure Database (LMSD)
Common Name
12-nitro-linoleic acid
Systematic Name
12-nitro-9Z,12Z-octadecadienoic acid
Synonyms
- (9Z,12Z)-12-Nitrooctadeca-9,12-dienoic acid
- C12-LNO2
3D model of 12-nitro-linoleic acid
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)
ZYFTUIURWQWFKQ-QIAGQCQHSA-N
InChi (Click to copy)
InChI=1S/C18H31NO4/c1-2-3-4-11-14-17(19(22)23)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,14H,2-8,10-11,13,15-16H2,1H3,(H,20,21)/b12-9-,17-14+
SMILES (Click to copy)
OC(=O)CCCCCCC/C=C\C/C(/[N+](=O)[O-])=C\CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
355.56
Topological Polar Surface Area
80.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
5.49
Molar Refractivity
92.93
Admin
Created at
-
Updated at
14th May 2021