TCT
Summary
| Name: | 6-(4-CHLORO-2-HYDROXY-PHENOXY)-NAPHTHALEN-2-OL |
| Formula: | C16 H11 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 286.71 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-(4-chloro-2-hydroxyphenoxy)naphthalen-2-ol |
| OpenEye OEToolkits | 1.5.0 | 6-(4-chloro-2-hydroxy-phenoxy)naphthalen-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc3cc(O)c(Oc2cc1ccc(O)cc1cc2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc2cc(Oc3ccc(Cl)cc3O)ccc2c1 |
| SMILES | CACTVS | 3.341 | Oc1ccc2cc(Oc3ccc(Cl)cc3O)ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2)Oc3ccc(cc3O)Cl)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2)Oc3ccc(cc3O)Cl)O |
| InChI | InChI | 1.03 | InChI=1S/C16H11ClO3/c17-12-3-6-16(15(19)9-12)20-14-5-2-10-7-13(18)4-1-11(10)8-14/h1-9,18-19H |
| InChIKey | InChI | 1.03 | JPSDMABQCFCGLC-UHFFFAOYSA-N |
