XXN
Summary
| Name: | (3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one |
| Formula: | C8 H5 Cl2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 218.037 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-4,7-bis(chloranyl)-3-oxidanyl-1,3-dihydroindol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(Cl)c2c1NC(=O)C2O |
| InChI | InChI | 1.06 | InChI=1S/C8H5Cl2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2,7,12H,(H,11,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | JSUBYQLEJVQEIU-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1C(=O)Nc2c(Cl)ccc(Cl)c12 |
| SMILES | CACTVS | 3.385 | O[CH]1C(=O)Nc2c(Cl)ccc(Cl)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1Cl)[C@@H](C(=O)N2)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1Cl)C(C(=O)N2)O)Cl |
