P9T
Summary
| Name: | [(5,7-difluoro-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid |
| Formula: | C10 H7 F2 O5 P |
| Formal charge: | 0 |
| Formula weight: | 276.13 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(5,7-difluoro-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid |
| OpenEye OEToolkits | 2.0.6 | [5,7-bis(fluoranyl)-2-oxidanylidene-chromen-4-yl]methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2(=O)C=C(CP(=O)(O)O)c1c(cc(cc1F)F)O2 |
| InChI | InChI | 1.03 | InChI=1S/C10H7F2O5P/c11-6-2-7(12)10-5(4-18(14,15)16)1-9(13)17-8(10)3-6/h1-3H,4H2,(H2,14,15,16) |
| InChIKey | InChI | 1.03 | RMYHVOFFXNNDCT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)CC1=CC(=O)Oc2cc(F)cc(F)c12 |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)CC1=CC(=O)Oc2cc(F)cc(F)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F |
