IH5
Summary
| Name: | {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID |
| Synonyms: | 3,5-DICHLORO-4-[(4-HYDROXY-3-ISOPROPYLPHENOXY)PHENYL]ACETIC ACID |
| Formula: | C17 H16 Cl2 O4 |
| Formal charge: | 0 |
| Formula weight: | 355.213 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid |
| OpenEye OEToolkits | 1.7.6 | 2-[3,5-bis(chloranyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2cc(cc(Cl)c2Oc1cc(c(O)cc1)C(C)C)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22) |
| InChIKey | InChI | 1.03 | OZYQIQVPUZANTM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O |
| SMILES | CACTVS | 3.370 | CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)c1cc(ccc1O)Oc2c(cc(cc2Cl)CC(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)c1cc(ccc1O)Oc2c(cc(cc2Cl)CC(=O)O)Cl |
