0GY
Summary
| Name: | (1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid |
| Formula: | C7 H6 O7 |
| Formal charge: | 0 |
| Formula weight: | 202.118 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (1E,3Z)-4-oxidanylbuta-1,3-diene-1,2,4-tricarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(\O)=C\C(\C(=O)O)=C/C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)/b3-2+,4-1- |
| InChIKey | InChI | 1.03 | QWLUKZXOQAQUFQ-NAOWAUKJSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)\C=C(/C=C(O)/C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | OC(=O)C=C(C=C(O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(=C(\C=C(\C(=O)O)/O)/C(=O)O)\C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(=C(C=C(C(=O)O)O)C(=O)O)C(=O)O |
