UB7
Summary
| Name: | terephthalic acid |
| Synonyms: | benzene-1,4-dicarboxylic acid |
| Formula: | C8 H6 O4 |
| Formal charge: | 0 |
| Formula weight: | 166.131 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | benzene-1,4-dicarboxylic acid |
| OpenEye OEToolkits | 2.0.7 | terephthalic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccc(c1)C(O)=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | KKEYFWRCBNTPAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)O)C(=O)O |
