HXK
2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid
Find entries where: HXK
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid |
| Synonyms | BPH-1182 |
| Identifiers | 2-[(3-octoxy-5-oxidanyl-phenyl)methylsulfanyl]benzoic acid |
| Formula | C22 H28 O4 S |
| Molecular Weight | 388.52 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCCCCCCCOc1cc(cc(c1)O)CSc2ccccc2C(=O)O |
| InChI | InChI=1S/C22H28O4S/c1-2-3-4-5-6-9-12-26-19-14-17(13-18(23)15-19)16-27-21-11-8-7-10-20(21)22(24)25/h7-8,10-11,13-15,23H,2-6,9,12,16H2,1H3,(H,24,25) |
| InChIKey | VWFBKLSSSBBNHA-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 55 |
| Chiral Atom Count | 0 |
| Bond Count | 56 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 121595976 |
