OCD
Summary
Name: | octadecanal |
Formula: | C18 H36 O |
Formal charge: | 0 |
Formula weight: | 268.478 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | octadecanal |
OpenEye OEToolkits | 2.0.5 | octadecanal |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(CCCCCCCCCCCCCCCCC)=O |
InChI | InChI | 1.03 | InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3 |
InChIKey | InChI | 1.03 | FWWQKRXKHIRPJY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCC=O |
SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCC=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCCCCCCCCCCCCCCCCC=O |
SMILES | OpenEye OEToolkits | 2.0.5 | CCCCCCCCCCCCCCCCCC=O |