CHV
Summary
| Name: | 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one |
| Formula: | C15 H9 Cl O5 |
| Formal charge: | 0 |
| Formula weight: | 304.682 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one |
| OpenEye OEToolkits | 1.7.6 | 3-(4-chloranyl-2-oxidanyl-phenoxy)-7-oxidanyl-chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc3ccc(OC1=Cc2c(OC1=O)cc(O)cc2)c(O)c3 |
| InChI | InChI | 1.03 | InChI=1S/C15H9ClO5/c16-9-2-4-12(11(18)6-9)20-14-5-8-1-3-10(17)7-13(8)21-15(14)19/h1-7,17-18H |
| InChIKey | InChI | 1.03 | UBCXCRQXPSAIBV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc2C=C(Oc3ccc(Cl)cc3O)C(=O)Oc2c1 |
| SMILES | CACTVS | 3.370 | Oc1ccc2C=C(Oc3ccc(Cl)cc3O)C(=O)Oc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1O)OC(=O)C(=C2)Oc3ccc(cc3O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1O)OC(=O)C(=C2)Oc3ccc(cc3O)Cl |
