6JO
Summary
| Name: | 3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-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 | 3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one |
| OpenEye OEToolkits | 2.0.4 | 2-(3-hydroxyphenyl)-3,6-bis(oxidanyl)chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(cccc1C=3Oc2ccc(O)cc2C(C=3O)=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H10O5/c16-9-3-1-2-8(6-9)15-14(19)13(18)11-7-10(17)4-5-12(11)20-15/h1-7,16-17,19H |
| InChIKey | InChI | 1.03 | LRMWPUURCIXKOC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(c1)C2=C(O)C(=O)c3cc(O)ccc3O2 |
| SMILES | CACTVS | 3.385 | Oc1cccc(c1)C2=C(O)C(=O)c3cc(O)ccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)O)C2=C(C(=O)c3cc(ccc3O2)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)O)C2=C(C(=O)c3cc(ccc3O2)O)O |
