JRO
Summary
| Name: | 6,7,9-trihydroxy-3-methyl-1H-benzo[g]isochromen-1-one |
| Formula: | C14 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 258.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6,7,9-trihydroxy-3-methyl-1H-benzo[g]isochromen-1-one |
| OpenEye OEToolkits | 1.7.2 | 3-methyl-6,7,9-tris(oxidanyl)benzo[g]isochromen-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C3OC(=Cc2c3cc1c(O)cc(O)c(O)c1c2)C |
| InChI | InChI | 1.03 | InChI=1S/C14H10O5/c1-6-2-7-3-10-9(4-8(7)14(18)19-6)11(15)5-12(16)13(10)17/h2-5,15-17H,1H3 |
| InChIKey | InChI | 1.03 | JSPFABGVYLULRJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1=Cc2cc3c(O)c(O)cc(O)c3cc2C(=O)O1 |
| SMILES | CACTVS | 3.370 | CC1=Cc2cc3c(O)c(O)cc(O)c3cc2C(=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC1=Cc2cc3c(cc2C(=O)O1)c(cc(c3O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC1=Cc2cc3c(cc2C(=O)O1)c(cc(c3O)O)O |
