TIY
Summary
| Name: | 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one |
| Synonyms: | Purpurogallin |
| Formula: | C11 H8 O5 |
| Formal charge: | 0 |
| Formula weight: | 220.178 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one |
| OpenEye OEToolkits | 1.7.6 | 2,3,4,6-tetrakis(oxidanyl)benzo[7]annulen-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1c(O)c(O)c(O)cc1C=CC=C2O |
| InChI | InChI | 1.03 | InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14) |
| InChIKey | InChI | 1.03 | WDGFFVCWBZVLCE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC1=CC=Cc2cc(O)c(O)c(O)c2C1=O |
| SMILES | CACTVS | 3.370 | OC1=CC=Cc2cc(O)c(O)c(O)c2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O |
