FA7
Summary
| Name: | (2Z,4E)-7-methylocta-2,4-dienoic acid |
| Formula: | C9 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 154.206 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2Z,4E)-7-methylocta-2,4-dienoic acid |
| OpenEye OEToolkits | 1.6.1 | (2Z,4E)-7-methylocta-2,4-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)/C=C\C=C\CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)C\C=C\C=C/C(O)=O |
| SMILES | CACTVS | 3.352 | CC(C)CC=CC=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(C)C\C=C\C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)CC=CC=CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H14O2/c1-8(2)6-4-3-5-7-9(10)11/h3-5,7-8H,6H2,1-2H3,(H,10,11)/b4-3+,7-5- |
| InChIKey | InChI | 1.03 | ZPJFGJWTSDWBST-BZDQXIRASA-N |
