3Q7
Summary
| Name: | (trimethylarsonio)acetate |
| Formula: | C5 H11 As O2 |
| Formal charge: | 0 |
| Formula weight: | 178.061 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (trimethylarsonio)acetate |
| OpenEye OEToolkits | 1.9.2 | 2-trimethylarsoniumylethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-]C(=O)C[As+](C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 |
| InChIKey | InChI | 1.03 | SPTHHTGLGVZZRH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[As+](C)(C)CC([O-])=O |
| SMILES | CACTVS | 3.385 | C[As+](C)(C)CC([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[As+](C)(C)CC(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.9.2 | C[As+](C)(C)CC(=O)[O-] |
