1PB
Summary
| Name: | 1,4-DIPHENYL-2-BUTENE |
| Synonyms: | [(1E)-4-PHENYLBUT-1-ENYL]BENZENE |
| Formula: | C16 H16 |
| Formal charge: | 0 |
| Formula weight: | 208.298 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1,1'-(1E)-but-1-ene-1,4-diyldibenzene |
| OpenEye OEToolkits | 1.5.0 | [(E)-4-phenylbut-3-enyl]benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | C(=C/c1ccccc1)\CCc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | C(Cc1ccccc1)/C=C/c2ccccc2 |
| SMILES | CACTVS | 3.341 | C(Cc1ccccc1)C=Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC\C=C\c2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCC=Cc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H,8,14H2/b13-7+ |
| InChIKey | InChI | 1.03 | NJJOGKAVAWZLAU-NTUHNPAUSA-N |
