DES
Summary
| Name: | DIETHYLSTILBESTROL |
| Formula: | C18 H20 O2 |
| Formal charge: | 0 |
| Formula weight: | 268.35 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4,4'-(3E)-hex-3-ene-3,4-diyldiphenol |
| OpenEye OEToolkits | 1.5.0 | 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Oc2ccc(/C(=C(/c1ccc(O)cc1)CC)CC)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC\C(c1ccc(O)cc1)=C(CC)/c2ccc(O)cc2 |
| SMILES | CACTVS | 3.341 | CCC(c1ccc(O)cc1)=C(CC)c2ccc(O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O |
| InChI | InChI | 1.03 | InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ |
| InChIKey | InChI | 1.03 | RGLYKWWBQGJZGM-ISLYRVAYSA-N |
