2T5
Summary
| Name: | [(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid |
| Formula: | C11 H10 N O4 P S |
| Formal charge: | 0 |
| Formula weight: | 283.24 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | [(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid |
| OpenEye OEToolkits | 1.6.1 | 4H-indeno[1,2-d][1,3]thiazol-8-yloxymethylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=P(O)(O)COc1c2c(ccc1)Cc3scnc23 |
| SMILES_CANONICAL | CACTVS | 3.352 | O[P](O)(=O)COc1cccc2Cc3scnc3c12 |
| SMILES | CACTVS | 3.352 | O[P](O)(=O)COc1cccc2Cc3scnc3c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(c(c1)OCP(=O)(O)O)-c3c(scn3)C2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(c(c1)OCP(=O)(O)O)-c3c(scn3)C2 |
| InChI | InChI | 1.03 | InChI=1S/C11H10NO4PS/c13-17(14,15)6-16-8-3-1-2-7-4-9-11(10(7)8)12-5-18-9/h1-3,5H,4,6H2,(H2,13,14,15) |
| InChIKey | InChI | 1.03 | SMDILGWFXDZUOB-UHFFFAOYSA-N |
