XV5
Summary
| Name: | (2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one |
| Formula: | C15 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 270.237 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one |
| OpenEye OEToolkits | 2.0.7 | 2-[[2,4,5-tris(oxidanyl)phenyl]methylidene]-1-benzofuran-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1cc(/C=C2\Oc3ccccc3C2=O)c(O)cc1O |
| InChI | InChI | 1.06 | InChI=1S/C15H10O5/c16-10-7-12(18)11(17)5-8(10)6-14-15(19)9-3-1-2-4-13(9)20-14/h1-7,16-18H |
| InChIKey | InChI | 1.06 | VVYKSKJYFAOSBP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)c(cc1O)/C=C/2Oc3ccccc3C/2=O |
| SMILES | CACTVS | 3.385 | Oc1cc(O)c(cc1O)C=C2Oc3ccccc3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)C(=Cc3cc(c(cc3O)O)O)O2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)C(=Cc3cc(c(cc3O)O)O)O2 |
