JPT
Summary
| Name: | 6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one |
| Formula: | C11 H10 O4 S |
| Formal charge: | 0 |
| Formula weight: | 238.26 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H10O4S/c12-5-8-4-9(13)11(14)10(15-8)3-7-1-2-16-6-7/h1-2,4,6,12,14H,3,5H2 |
| InChIKey | InChI | 1.03 | ULVBQNJLQXBOPK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC1=CC(=O)C(=C(Cc2cscc2)O1)O |
| SMILES | CACTVS | 3.385 | OCC1=CC(=O)C(=C(Cc2cscc2)O1)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cscc1CC2=C(C(=O)C=C(O2)CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cscc1CC2=C(C(=O)C=C(O2)CO)O |
