S4B
Summary
| Name: | {4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid |
| Formula: | C14 H13 B O4 |
| Formal charge: | 0 |
| Formula weight: | 256.062 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid |
| OpenEye OEToolkits | 2.0.6 | [4-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]ethenyl]phenyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(ccc(\C=C\c1cc(O)cc(O)c1)cc2)B(O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H13BO4/c16-13-7-11(8-14(17)9-13)2-1-10-3-5-12(6-4-10)15(18)19/h1-9,16-19H/b2-1+ |
| InChIKey | InChI | 1.03 | DYVLARRBNBVUFX-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |
| SMILES | CACTVS | 3.385 | OB(O)c1ccc(C=Cc2cc(O)cc(O)c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1ccc(cc1)/C=C/c2cc(cc(c2)O)O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(c1ccc(cc1)C=Cc2cc(cc(c2)O)O)(O)O |
