CHJ
Summary
| Name: | 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one |
| Formula: | C16 H11 Cl O4 |
| Formal charge: | 0 |
| Formula weight: | 302.709 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one |
| OpenEye OEToolkits | 1.7.6 | 7-(4-chloranyl-2-oxidanyl-phenoxy)-4-methyl-chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc3ccc(Oc2ccc1c(OC(=O)C=C1C)c2)c(O)c3 |
| InChI | InChI | 1.03 | InChI=1S/C16H11ClO4/c1-9-6-16(19)21-15-8-11(3-4-12(9)15)20-14-5-2-10(17)7-13(14)18/h2-8,18H,1H3 |
| InChIKey | InChI | 1.03 | XXMITAGGDYBPQV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1=CC(=O)Oc2cc(Oc3ccc(Cl)cc3O)ccc12 |
| SMILES | CACTVS | 3.370 | CC1=CC(=O)Oc2cc(Oc3ccc(Cl)cc3O)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Oc2c1ccc(c2)Oc3ccc(cc3O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Oc2c1ccc(c2)Oc3ccc(cc3O)Cl |
