EZ3
Summary
| Name: | (3R)-3-[(R)-[(2R,6S)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one |
| Formula: | C16 H20 O6 |
| Formal charge: | 0 |
| Formula weight: | 308.326 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-[(~{R})-[(2~{R},6~{S})-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H20O6/c1-8-3-2-4-12(21-8)15(19)13-6-9-5-10(17)7-11(18)14(9)16(20)22-13/h5,7-8,12-13,15,17-19H,2-4,6H2,1H3/t8-,12+,13+,15+/m0/s1 |
| InChIKey | InChI | 1.03 | YVPGTQQTPNCAJJ-VFJFRJDUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCC[C@@H](O1)[C@@H](O)[C@H]2Cc3cc(O)cc(O)c3C(=O)O2 |
| SMILES | CACTVS | 3.385 | C[CH]1CCC[CH](O1)[CH](O)[CH]2Cc3cc(O)cc(O)c3C(=O)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCC[C@@H](O1)[C@H]([C@H]2Cc3cc(cc(c3C(=O)O2)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCC(O1)C(C2Cc3cc(cc(c3C(=O)O2)O)O)O |
