A1EC1
Summary
| Name: | 2-chloranyl-3-(4-methylsulfanylphenoxy)-6-nitro-aniline |
| Formula: | C13 H11 Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 310.756 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-3-(4-methylsulfanylphenoxy)-6-nitro-aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H11ClN2O3S/c1-20-9-4-2-8(3-5-9)19-11-7-6-10(16(17)18)13(15)12(11)14/h2-7H,15H2,1H3 |
| InChIKey | InChI | 1.06 | WRPZEFTYHRJVMP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccc(Oc2ccc(c(N)c2Cl)[N+]([O-])=O)cc1 |
| SMILES | CACTVS | 3.385 | CSc1ccc(Oc2ccc(c(N)c2Cl)[N+]([O-])=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSc1ccc(cc1)Oc2ccc(c(c2Cl)N)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSc1ccc(cc1)Oc2ccc(c(c2Cl)N)[N+](=O)[O-] |
