VZ7
Summary
| Name: | 2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate |
| Formula: | C11 H13 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 228.672 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate |
| OpenEye OEToolkits | 2.0.7 | [2-(3-chlorophenyl)-2-methyl-propyl] hydrogen carbonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)(c1cccc(c1)Cl)COC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H13ClO3/c1-11(2,7-15-10(13)14)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H,13,14) |
| InChIKey | InChI | 1.03 | GZOXMJOUUULDTN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(COC(O)=O)c1cccc(Cl)c1 |
| SMILES | CACTVS | 3.385 | CC(C)(COC(O)=O)c1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(COC(=O)O)c1cccc(c1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(COC(=O)O)c1cccc(c1)Cl |
