8U8
Summary
| Name: | (2~{R},3~{S},4~{S},5~{R},6~{S})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid |
| Formula: | C16 H16 O9 |
| Formal charge: | 0 |
| Formula weight: | 352.293 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{S},4~{S},5~{R},6~{S})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14+,16+/m0/s1 |
| InChIKey | InChI | 1.03 | ARQXEQLMMNGFDU-ZHMBSYLPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc12 |
| SMILES | CACTVS | 3.385 | CC1=CC(=O)Oc2cc(O[CH]3O[CH]([CH](O)[CH](O)[CH]3O)C(O)=O)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)Oc2c1ccc(c2)OC3C(C(C(C(O3)C(=O)O)O)O)O |
