YYZ
Summary
| Name: | (2E)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid |
| Formula: | C9 H6 Cl2 O3 |
| Formal charge: | 0 |
| Formula weight: | 233.048 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid |
| OpenEye OEToolkits | 2.0.6 | (~{E})-3-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C([C@H]=Cc1cc(Cl)c(O)c(c1)Cl)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H6Cl2O3/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h1-4,14H,(H,12,13)/b2-1+ |
| InChIKey | InChI | 1.03 | YCWRKUFHHMQSOU-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)/C=C/c1cc(Cl)c(O)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)C=Cc1cc(Cl)c(O)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cc(c(c1Cl)O)Cl)/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cc(c(c1Cl)O)Cl)C=CC(=O)O |
