IW1
Summary
| Name: | 2,6-dibromo-4-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenol |
| Formula: | C14 H8 Br2 Cl2 O |
| Formal charge: | 0 |
| Formula weight: | 422.927 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 2,6-dibromo-4-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenol |
| OpenEye OEToolkits | 1.6.1 | 2,6-dibromo-4-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Brc1cc(cc(Br)c1O)\C=C\c2c(Cl)cccc2Cl |
| SMILES_CANONICAL | CACTVS | 3.352 | Oc1c(Br)cc(/C=C/c2c(Cl)cccc2Cl)cc1Br |
| SMILES | CACTVS | 3.352 | Oc1c(Br)cc(C=Cc2c(Cl)cccc2Cl)cc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(c(c1)Cl)/C=C/c2cc(c(c(c2)Br)O)Br)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(c(c1)Cl)C=Cc2cc(c(c(c2)Br)O)Br)Cl |
| InChI | InChI | 1.03 | InChI=1S/C14H8Br2Cl2O/c15-10-6-8(7-11(16)14(10)19)4-5-9-12(17)2-1-3-13(9)18/h1-7,19H/b5-4+ |
| InChIKey | InChI | 1.03 | RLPYELPZSFVXBH-SNAWJCMRSA-N |
