9V5
Summary
| Name: | 4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene |
| Synonyms: | BIS-TRIS BUFFER |
| Formula: | C12 H8 Cl N O4 S |
| Formal charge: | 0 |
| Formula weight: | 297.714 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H8ClNO4S/c13-9-6-7-12(11(8-9)14(15)16)19(17,18)10-4-2-1-3-5-10/h1-8H |
| InChIKey | InChI | 1.03 | VZDUQPHKUBZMLW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1cc(Cl)ccc1[S](=O)(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1cc(Cl)ccc1[S](=O)(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)S(=O)(=O)c2ccc(cc2[N+](=O)[O-])Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)S(=O)(=O)c2ccc(cc2[N+](=O)[O-])Cl |
