2CN
5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid
Find entries where: 2CN
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid |
| Identifiers | 5-bromo-2-[(3-octoxyphenyl)methylsulfanyl]benzoic acid |
| Formula | C22 H27 Br O3 S |
| Molecular Weight | 451.417 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCCCCCCCOc1cccc(c1)CSc2ccc(cc2C(=O)O)Br |
| InChI | InChI=1S/C22H27BrO3S/c1-2-3-4-5-6-7-13-26-19-10-8-9-17(14-19)16-27-21-12-11-18(23)15-20(21)22(24)25/h8-12,14-15H,2-7,13,16H2,1H3,(H,24,25) |
| InChIKey | DMCLNIZKWQGPTM-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 54 |
| Chiral Atom Count | 0 |
| Bond Count | 55 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 56928042 |
