8YJ
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid
Find entries where: 8YJ
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
|---|---|
| Name | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid |
| Identifiers | 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid |
| Formula | C15 H11 Cl O3 S |
| Molecular Weight | 306.764 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc(c(c1)C(=O)O)SCC(=O)c2ccc(cc2)Cl |
| InChI | InChI=1S/C15H11ClO3S/c16-11-7-5-10(6-8-11)13(17)9-20-14-4-2-1-3-12(14)15(18)19/h1-8H,9H2,(H,18,19) |
| InChIKey | SWPTTWQFPBNDMV-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 31 |
| Chiral Atom Count | 0 |
| Bond Count | 32 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 737178 |
| ChEMBL | CHEMBL1426702 |
