GZ8
Summary
| Name: | 4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid |
| Formula: | C8 H6 O4 S |
| Formal charge: | 0 |
| Formula weight: | 198.196 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-sulfanylidenecyclohexa-2,5-diene-1,2-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H6O4S/c9-7(10)5-2-1-4(13)3-6(5)8(11)12/h1-3,5H,(H,9,10)(H,11,12)/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | KNBOUYAMGNHOJT-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1C=CC(=S)C=C1C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1C=CC(=S)C=C1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1=CC(=S)C=C(C1C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1=CC(=S)C=C(C1C(=O)O)C(=O)O |
