1KC
Summary
| Name: | (3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid |
| Formula: | C8 H14 O3 S |
| Formal charge: | 0 |
| Formula weight: | 190.26 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H14O3S/c1-12-5-3-2-4-7(9)6-8(10)11/h2,4,7,9H,3,5-6H2,1H3,(H,10,11)/b4-2-/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | XJDXZZBSTXLALG-DQZUBPPWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CSCC\C=C/[C@@H](O)CC(O)=O |
| SMILES | CACTVS | 3.370 | CSCCC=C[CH](O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CSCCC=C[C@H](CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CSCCC=CC(CC(=O)O)O |
