WMN
Summary
| Name: | (4~{S},9~{S},10~{S},13~{E})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),13,15,17-tetraene-2,8-dione |
| Formula: | C19 H24 O7 |
| Formal charge: | 0 |
| Formula weight: | 364.39 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S},9~{S},10~{S},13~{E})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),13,15,17-tetraene-2,8-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H24O7/c1-11-5-4-8-15(22)18(24)14(21)7-3-2-6-12-9-13(20)10-16(23)17(12)19(25)26-11/h2,6,9-11,14,18,20-21,23-24H,3-5,7-8H2,1H3/t11-,14?,18?/m0/s1 |
| InChIKey | InChI | 1.06 | INPRLQYRFJHNKB-JCDGYTILSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCCC(=O)[C@@H](O)[C@@H](O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |
| SMILES | CACTVS | 3.385 | C[CH]1CCCC(=O)[CH](O)[CH](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCCC(=O)[C@H]([C@H](CC/C=C/c2cc(cc(c2C(=O)O1)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCC(=O)C(C(CCC=Cc2cc(cc(c2C(=O)O1)O)O)O)O |
