ODT
Summary
Name: | (11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID |
Synonyms: | 11-TRANS-13-TRANS-15-CIS-OCTADECATRIENOIC ACID |
Formula: | C18 H30 O2 |
Formal charge: | 0 |
Formula weight: | 278.43 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (11E,13E,15Z)-octadeca-11,13,15-trienoic acid |
OpenEye OEToolkits | 1.5.0 | (11E,13E,15Z)-octadeca-11,13,15-trienoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CCCCCCCCC\C=C\C=C\C=C/CC |
SMILES_CANONICAL | CACTVS | 3.341 | CC\C=C/C=C/C=C/CCCCCCCCCC(O)=O |
SMILES | CACTVS | 3.341 | CCC=CC=CC=CCCCCCCCCCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC\C=C/C=C/C=C/CCCCCCCCCC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC=CC=CC=CCCCCCCCCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-8H,2,9-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+ |
InChIKey | InChI | 1.03 | ZSXWVPXJLXTOQQ-ZRGCPWHVSA-N |