G9P
Summary
| Name: | (11bR)-3-oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid |
| Synonyms: | 1,11b-Dihydro-[1]benzopyrano[4,3,2-de]isoquinolin-3(2H)-one-10-sulphonic acid |
| Formula: | C15 H11 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 317.317 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | O[S](=O)(=O)c1ccc2Oc3cccc4C(=O)NC[C@H](c2c1)c34 |
| SMILES | CACTVS | 3.352 | O[S](=O)(=O)c1ccc2Oc3cccc4C(=O)NC[CH](c2c1)c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c3c(c1)Oc4ccc(cc4[C@H]3CNC2=O)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c3c(c1)Oc4ccc(cc4C3CNC2=O)S(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H11NO5S/c17-15-9-2-1-3-13-14(9)11(7-16-15)10-6-8(22(18,19)20)4-5-12(10)21-13/h1-6,11H,7H2,(H,16,17)(H,18,19,20)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | XIIAPOBAFRAUGJ-LLVKDONJSA-N |
