NXV
2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid
Find entries where: NXV
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid |
| Identifiers | 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-hydroxybut-1-ynyl)benzoic acid |
| Formula | C18 H14 Cl2 O3 S |
| Molecular Weight | 381.273 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1cc(c(cc1CSc2cc(ccc2C(=O)O)C#CCCO)Cl)Cl |
| InChI | InChI=1S/C18H14Cl2O3S/c19-15-7-5-13(9-16(15)20)11-24-17-10-12(3-1-2-8-21)4-6-14(17)18(22)23/h4-7,9-10,21H,2,8,11H2,(H,22,23) |
| InChIKey | LYKDQGOGGHKHLP-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 38 |
| Chiral Atom Count | 0 |
| Bond Count | 39 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 54751679 |
| ChEMBL | CHEMBL1910966 |
