VA
Summary
Name: | (Z)-OCTADEC-11-ENYL ACETATE |
Formula: | C20 H38 O2 |
Formal charge: | 0 |
Formula weight: | 310.515 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (11Z)-octadec-11-en-1-yl acetate |
OpenEye OEToolkits | 1.5.0 | [(Z)-octadec-11-enyl] ethanoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OCCCCCCCCCC\C=C/CCCCCC)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC\C=C/CCCCCCCCCCOC(C)=O |
SMILES | CACTVS | 3.341 | CCCCCCC=CCCCCCCCCCCOC(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC\C=C/CCCCCCCCCCOC(=O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCC=CCCCCCCCCCCOC(=O)C |
InChI | InChI | 1.03 | InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h8-9H,3-7,10-19H2,1-2H3/b9-8- |
InChIKey | InChI | 1.03 | QSZKEDWVAOAFQY-HJWRWDBZSA-N |