HFC
Summary
Name: | 6,7-bis(oxidanyl)chromen-2-one |
Formula: | C9 H6 O4 |
Formal charge: | 0 |
Formula weight: | 178.142 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 6,7-bis(oxidanyl)chromen-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H |
InChIKey | InChI | 1.03 | ILEDWLMCKZNDJK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc2OC(=O)C=Cc2cc1O |
SMILES | CACTVS | 3.385 | Oc1cc2OC(=O)C=Cc2cc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1O)O)OC(=O)C=C2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1O)O)OC(=O)C=C2 |