LFW
Summary
| Name: | (3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate |
| Formula: | C17 H11 I O4 |
| Formal charge: | 0 |
| Formula weight: | 406.171 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H11IO4/c1-10-5-6-15-11(7-10)8-14(17(20)22-15)16(19)21-13-4-2-3-12(18)9-13/h2-9H,1H3 |
| InChIKey | InChI | 1.03 | OUKFXYLCMXELAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(I)c3 |
| SMILES | CACTVS | 3.385 | Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(I)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)I |
