A1DOI
Summary
| Name: | 3-phenyl-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione |
| Formula: | C10 H10 O2 S |
| Formal charge: | 0 |
| Formula weight: | 194.25 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-phenyl-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione |
| OpenEye OEToolkits | 3.1.0.0 | 3-phenyl-2,5-dihydrothiophene 1,1-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S1(=O)CC=C(C1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H10O2S/c11-13(12)7-6-10(8-13)9-4-2-1-3-5-9/h1-6H,7-8H2 |
| InChIKey | InChI | 1.06 | AFSYLFPQPSYRKC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S]1(=O)CC=C(C1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | O=[S]1(=O)CC=C(C1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)C2=CCS(=O)(=O)C2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)C2=CCS(=O)(=O)C2 |
