HMQ
Summary
| Name: | 2-[(6R)-6-(dioxidanyl)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethanoic acid |
| Formula: | C8 H8 O6 |
| Formal charge: | 0 |
| Formula weight: | 200.146 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(6R)-6-hydroperoxy-6-hydroxy-3-oxocyclohexa-1,4-dien-1-yl]acetic acid |
| OpenEye OEToolkits | 1.9.2 | 2-[(6R)-6-(dioxidanyl)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC1=CC(=O)C=CC1(O)OO |
| InChI | InChI | 1.03 | InChI=1S/C8H8O6/c9-6-1-2-8(12,14-13)5(3-6)4-7(10)11/h1-3,12-13H,4H2,(H,10,11)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | WRLJTDRVSAMRQB-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OO[C@]1(O)C=CC(=O)C=C1CC(O)=O |
| SMILES | CACTVS | 3.385 | OO[C]1(O)C=CC(=O)C=C1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1=C[C@@](C(=CC1=O)CC(=O)O)(O)OO |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1=CC(C(=CC1=O)CC(=O)O)(O)OO |
