WMC
Summary
| Name: | (5~{S},6~{S})-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione |
| Formula: | C16 H20 O8 |
| Formal charge: | 0 |
| Formula weight: | 340.325 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{S},6~{S})-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H20O8/c17-9-7-12(20)14-13(8-9)23-6-4-11(19)15(21)10(18)3-1-2-5-24-16(14)22/h7-8,11,15,17,19-21H,1-6H2 |
| InChIKey | InChI | 1.06 | ZJNGIMKXODSFLG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CCOc2cc(O)cc(O)c2C(=O)OCCCCC(=O)[C@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1CCOc2cc(O)cc(O)c2C(=O)OCCCCC(=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc2c(c1O)C(=O)OCCCCC(=O)[C@H]([C@H](CCO2)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc2c(c1O)C(=O)OCCCCC(=O)C(C(CCO2)O)O)O |
