X7F
Summary
Name: | 5,8-bis(oxidanyl)naphthalene-1,4-dione |
Formula: | C10 H6 O4 |
Formal charge: | 0 |
Formula weight: | 190.152 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 5,8-bis(oxidanyl)naphthalene-1,4-dione |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H |
InChIKey | InChI | 1.06 | RQNVIKXOOKXAJQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(O)c2C(=O)C=CC(=O)c12 |
SMILES | CACTVS | 3.385 | Oc1ccc(O)c2C(=O)C=CC(=O)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1O)C(=O)C=CC2=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1O)C(=O)C=CC2=O)O |