EMO
Summary
| Name: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE |
| Synonyms: | EMODIN |
| Formula: | C15 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 270.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1,3,8-trihydroxy-6-methylanthracene-9,10-dione |
| OpenEye OEToolkits | 1.5.0 | 1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1c(O)cc(cc1C(=O)c3c2c(O)cc(O)c3)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 |
| SMILES | CACTVS | 3.341 | Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O |
| InChI | InChI | 1.03 | InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 |
| InChIKey | InChI | 1.03 | RHMXXJGYXNZAPX-UHFFFAOYSA-N |
