R0M
Summary
Name: | (2E,4E)-hepta-2,4-dienoic acid |
Formula: | C7 H10 O2 |
Formal charge: | 0 |
Formula weight: | 126.153 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2E,4E)-hepta-2,4-dienoic acid |
OpenEye OEToolkits | 2.0.7 | (2~{E},4~{E})-hepta-2,4-dienoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [C@H](\C=C\CC)=[C@H]C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h3-6H,2H2,1H3,(H,8,9)/b4-3+,6-5+ |
InChIKey | InChI | 1.03 | GYTGOLDQGRPDNF-VNKDHWASSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC/C=C/C=C/C(O)=O |
SMILES | CACTVS | 3.385 | CCC=CC=CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC/C=C/C=C/C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC=CC=CC(=O)O |