BVB
Summary
| Name: | 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol |
| Formula: | C14 H11 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 291.14 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol |
| OpenEye OEToolkits | 1.7.6 | 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc2ccc(/C=C/c1cc(O)cc(O)c1)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H11BrO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b2-1+ |
| InChIKey | InChI | 1.03 | NCJVLKFAQIWASE-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)cc(/C=C/c2ccc(Br)cc2)c1 |
| SMILES | CACTVS | 3.385 | Oc1cc(O)cc(C=Cc2ccc(Br)cc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1/C=C/c2cc(cc(c2)O)O)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C=Cc2cc(cc(c2)O)O)Br |
