DUV
Summary
| Name: | (2R)-2-methanoylhept-6-ynoic acid |
| Formula: | C8 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 154.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-methanoylhept-6-ynoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H10O3/c1-2-3-4-5-7(6-9)8(10)11/h1,6-7H,3-5H2,(H,10,11)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | XEBGKYCHRCIWRY-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H](CCCC#C)C=O |
| SMILES | CACTVS | 3.385 | OC(=O)[CH](CCCC#C)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C#CCCC[C@H](C=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C#CCCCC(C=O)C(=O)O |
