TBX
(3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
Find entries where: TBX
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol |
| Synonyms | (S)-tebuconazole |
| Identifiers | (3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol |
| Formula | C16 H22 Cl N3 O |
| Molecular Weight | 307.818 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)(C)[C@@](CCc1ccc(cc1)Cl)(Cn2cncn2)O |
| InChI | InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m1/s1 |
| InChIKey | PXMNMQRDXWABCY-MRXNPFEDSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 43 |
| Chiral Atom Count | 1 |
| Bond Count | 44 |
| Aromatic Bond Count | 11 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 12763626 |
| ChEBI | CHEBI:83780 |
| CCDC/CSD | IGUREI |
