A1LXH
Summary
| Name: | 2-[[(9~{R})-3-(4-methoxyphenoxy)-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-yl]methyl]prop-2-enoic acid |
| Formula: | C18 H18 B O7 |
| Formal charge: | -1 |
| Formula weight: | 357.142 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[(9~{R})-3-(4-methoxyphenoxy)-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-yl]methyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H18BO7/c1-11(18(20)21)9-17-15-10-14(7-8-16(15)19(22,23)26-17)25-13-5-3-12(24-2)4-6-13/h3-8,10,17,22-23H,1,9H2,2H3,(H,20,21)/q-1/t17-/m1/s1 |
| InChIKey | InChI | 1.06 | LKZWSGRMMVRPIY-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Oc2ccc3c(c2)[C@@H](CC(=C)C(O)=O)O[B-]3(O)O)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(Oc2ccc3c(c2)[CH](CC(=C)C(O)=O)O[B-]3(O)O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B-]1(c2ccc(cc2[C@H](O1)CC(=C)C(=O)O)Oc3ccc(cc3)OC)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | [B-]1(c2ccc(cc2C(O1)CC(=C)C(=O)O)Oc3ccc(cc3)OC)(O)O |
