DZ5
Summary
| Name: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid |
| Formula: | C9 H7 F O2 S |
| Formal charge: | 0 |
| Formula weight: | 198.214 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid |
| OpenEye OEToolkits | 2.0.4 | (~{Z})-3-(4-fluorophenyl)-2-sulfanyl-prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)\C(=C\c1ccc(cc1)F)S |
| InChI | InChI | 1.03 | InChI=1S/C9H7FO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5- |
| InChIKey | InChI | 1.03 | IBSBBUUSPOCCFV-YVMONPNESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)\C(S)=C\c1ccc(F)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)C(S)=Cc1ccc(F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1/C=C(/C(=O)O)\S)F |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1C=C(C(=O)O)S)F |
