7-chloranyl-2,7-dimethyl-6-oxidanyl-5-(1,2,4-triazol-1-yl)octan-4-one

Systemtic Name: 7-chloranyl-2,7-dimethyl-6-oxidanyl-5-(1,2,4-triazol-1-yl)octan-4-one Openeye Name: 7-chloro-6-hydroxy-2,7-dimethyl-5-(1,2,4-triazol-1-yl)octan-4-one CAS Name: 7-chloro-6-hydroxy-2,7-dimethyl-5-(1,2,4-triazol-1-yl)-4-octanone IUPAC Name: 7-chloro-6-hydroxy-2,7-dimethyl-5-(1,2,4-triazol-1-yl)octan-4-one Traditional Name: 7-chloro-6-hydroxy-2,7-dimethyl-5-(1,2,4-triazol-1-yl)octan-4-one Formula: C12H20ClN3O2 MolecularWeight: 273.7591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(C(C(C)(C)Cl)O)N1C=NC=N1

Isomeric SMILES

CC(C)CC(=O)C(C(C(C)(C)Cl)O)N1C=NC=N1

InChI

InChI=1S/C12H20ClN3O2/c1-8(2)5-9(17)10(11(18)12(3,4)13)16-7-14-6-15-16/h6-8,10-11,18H,5H2,1-4H3