VKE
Summary
| Name: | [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid |
| Formula: | C11 H9 O7 P |
| Formal charge: | 0 |
| Formula weight: | 284.159 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid |
| OpenEye OEToolkits | 2.0.6 | (6-oxidanylidene-[1,3]dioxolo[4,5-g]chromen-8-yl)methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(P(=O)(O)O)C1=CC(=O)Oc2c1cc3c(c2)OCO3 |
| InChI | InChI | 1.03 | InChI=1S/C11H9O7P/c12-11-1-6(4-19(13,14)15)7-2-9-10(17-5-16-9)3-8(7)18-11/h1-3H,4-5H2,(H2,13,14,15) |
| InChIKey | InChI | 1.03 | RMWCNOJRLBGOBW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)CC1=CC(=O)Oc2cc3OCOc3cc12 |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)CC1=CC(=O)Oc2cc3OCOc3cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c2c(cc3c1OCO3)OC(=O)C=C2CP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c2c(cc3c1OCO3)OC(=O)C=C2CP(=O)(O)O |
