83X
Summary
Name: | 1-[2,4,6-tris(oxidanyl)phenyl]ethanone |
Formula: | C8 H8 O4 |
Formal charge: | 0 |
Formula weight: | 168.147 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 1-[2,4,6-tris(oxidanyl)phenyl]ethanone |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3 |
InChIKey | InChI | 1.03 | XLEYFDVVXLMULC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1c(O)cc(O)cc1O |
SMILES | CACTVS | 3.385 | CC(=O)c1c(O)cc(O)cc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)c1c(cc(cc1O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)c1c(cc(cc1O)O)O |