DEI
Summary
| Name: | (2Z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid |
| Formula: | C4 H6 O3 S |
| Formal charge: | 0 |
| Formula weight: | 134.154 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2Z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid |
| OpenEye OEToolkits | 1.5.0 | (Z)-2-hydroxy-3-methylsulfanyl-prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(\O)=C\SC |
| SMILES_CANONICAL | CACTVS | 3.341 | CS\C=C(O)\C(O)=O |
| SMILES | CACTVS | 3.341 | CSC=C(O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CS\C=C(\C(=O)O)/O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CSC=C(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H6O3S/c1-8-2-3(5)4(6)7/h2,5H,1H3,(H,6,7)/b3-2- |
| InChIKey | InChI | 1.03 | VOKJWIQPUMADMU-IHWYPQMZSA-N |
