K2Q
Summary
| Name: | (1R,6R,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(Z),7-diene-8-carboxylic acid |
| Formula: | C10 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 212.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,6R,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4,7-diene-8-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | (1R,6R,10S)-6,10-bis(oxidanyl)-2-oxabicyclo[4.3.1]deca-4,7-diene-8-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1=CC2(O)C=CCOC(C1)C2O |
| InChI | InChI | 1.03 | InChI=1S/C10H12O5/c11-8-7-4-6(9(12)13)5-10(8,14)2-1-3-15-7/h1-2,5,7-8,11,14H,3-4H2,(H,12,13)/t7-,8+,10-/m1/s1 |
| InChIKey | InChI | 1.03 | RGHXALVTPJSFBL-KHQFGBGNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@H]2CC(=C[C@]1(O)C=CCO2)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH]2CC(=C[C]1(O)C=CCO2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1C=C[C@]2(C=C(C[C@H]([C@@H]2O)O1)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1C=CC2(C=C(CC(C2O)O1)C(=O)O)O |
