OSB
Summary
| Name: | 2-SUCCINYLBENZOATE |
| Synonyms: | O-SUCCINYLBENZOATE |
| Formula: | C11 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 222.194 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(3-carboxypropanoyl)benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(4-hydroxy-4-oxo-butanoyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1ccccc1C(=O)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCC(=O)c1ccccc1C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)CCC(=O)c1ccccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16) |
| InChIKey | InChI | 1.03 | YIVWQNVQRXFZJB-UHFFFAOYSA-N |
