BZS
Summary
| Name: | L-BENZYLSUCCINIC ACID |
| Formula: | C11 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 208.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-benzylbutanedioic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-(phenylmethyl)butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(C(=O)O)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C[C@@H](Cc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)C[CH](Cc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@H](CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(CC(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | GTOFKXZQQDSVFH-SECBINFHSA-N |
