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 |