WYS
Summary
| Name: | parathion |
| Synonyms: | O,O-diethyl O-(4-nitrophenyl) phosphorothioate |
| Formula: | C10 H14 N O5 P S |
| Formal charge: | 0 |
| Formula weight: | 291.261 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | O,O-diethyl O-(4-nitrophenyl) phosphorothioate |
| OpenEye OEToolkits | 2.0.7 | diethoxy-(4-nitrophenoxy)-sulfanylidene-$l^{5}-phosphane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=P(Oc1ccc(cc1)N(=O)=O)(OCC)OCC |
| InChI | InChI | 1.06 | InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 |
| InChIKey | InChI | 1.06 | LCCNCVORNKJIRZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCO[P](=S)(OCC)Oc1ccc(cc1)[N](=O)=O |
| SMILES | CACTVS | 3.385 | CCO[P](=S)(OCC)Oc1ccc(cc1)[N](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOP(=S)(OCC)Oc1ccc(cc1)N(=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOP(=S)(OCC)Oc1ccc(cc1)N(=O)=O |
