7V6
Summary
| Name: | 5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid |
| Formula: | C16 H17 B O4 |
| Formal charge: | 0 |
| Formula weight: | 284.115 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-[(3~{R})-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17BO4/c17-12-5-3-11(4-6-12)14(18)7-1-10-2-8-15(19)13(9-10)16(20)21/h2-6,8-9,14,18-19H,1,7,17H2,(H,20,21)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | AIYINTRBIVHQTG-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Bc1ccc(cc1)[C@H](O)CCc2ccc(O)c(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | Bc1ccc(cc1)[CH](O)CCc2ccc(O)c(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Bc1ccc(cc1)[C@@H](CCc2ccc(c(c2)C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Bc1ccc(cc1)C(CCc2ccc(c(c2)C(=O)O)O)O |
