LNG
Summary
| Name: | Delta-3isotetradecenoic acid |
| Formula: | C14 H26 O2 |
| Formal charge: | 0 |
| Formula weight: | 226.355 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (3Z)-12-methyltridec-3-enoic acid |
| OpenEye OEToolkits | 1.6.1 | (Z)-12-methyltridec-3-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)C\C=C/CCCCCCCC(C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)CCCCCCC\C=C/CC(O)=O |
| SMILES | CACTVS | 3.352 | CC(C)CCCCCCCC=CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)CCCCCCC/C=C\CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CCCCCCCC=CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H26O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h8,10,13H,3-7,9,11-12H2,1-2H3,(H,15,16)/b10-8- |
| InChIKey | InChI | 1.03 | CPJZLQGGCFWOAA-NTMALXAHSA-N |
