32Y
Summary
| Name: | 6-amino-5-iodo-2H-chromen-2-one |
| Formula: | C9 H6 I N O2 |
| Formal charge: | 0 |
| Formula weight: | 287.054 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-amino-5-iodo-2H-chromen-2-one |
| OpenEye OEToolkits | 1.9.2 | 6-azanyl-5-iodanyl-chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Ic2c(ccc1OC(=O)C=Cc12)N |
| InChI | InChI | 1.03 | InChI=1S/C9H6INO2/c10-9-5-1-4-8(12)13-7(5)3-2-6(9)11/h1-4H,11H2 |
| InChIKey | InChI | 1.03 | WWRAFPGUBABZSD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2OC(=O)C=Cc2c1I |
| SMILES | CACTVS | 3.385 | Nc1ccc2OC(=O)C=Cc2c1I |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(c(c1N)I)C=CC(=O)O2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(c(c1N)I)C=CC(=O)O2 |
