3GQ
Summary
| Name: | benzene-1,2,3-tricarboxylic acid |
| Formula: | C9 H6 O6 |
| Formal charge: | 0 |
| Formula weight: | 210.14 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | benzene-1,2,3-tricarboxylic acid |
| OpenEye OEToolkits | 1.7.6 | benzene-1,2,3-tricarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cccc(C(=O)O)c1C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15) |
| InChIKey | InChI | 1.03 | UJMDYLWCYJJYMO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(C(O)=O)c1C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(C(O)=O)c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O |
