A1CKX
Summary
| Name: | (2E)-3-(5-phenylthiophen-2-yl)but-2-enal |
| Formula: | C14 H12 O S |
| Formal charge: | 0 |
| Formula weight: | 228.309 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2E)-3-(5-phenylthiophen-2-yl)but-2-enal |
| OpenEye OEToolkits | 3.1.0.0 | (~{E})-3-(5-phenylthiophen-2-yl)but-2-enal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | C/C(=C\C=O)c1ccc(s1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H12OS/c1-11(9-10-15)13-7-8-14(16-13)12-5-3-2-4-6-12/h2-10H,1H3/b11-9+ |
| InChIKey | InChI | 1.06 | KANGHGOOGHOANR-PKNBQFBNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C(=C/C=O)c1sc(cc1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(=CC=O)c1sc(cc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C/C(=C\C=O)/c1ccc(s1)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=CC=O)c1ccc(s1)c2ccccc2 |
