5,5,6-trimethyl-1-(1,2,4-triazol-1-yl)heptan-4-ol

Systemtic Name: 5,5,6-trimethyl-1-(1,2,4-triazol-1-yl)heptan-4-ol Openeye Name: 5,5,6-trimethyl-1-(1,2,4-triazol-1-yl)heptan-4-ol CAS Name: 5,5,6-trimethyl-1-(1,2,4-triazol-1-yl)-4-heptanol IUPAC Name: 5,5,6-trimethyl-1-(1,2,4-triazol-1-yl)heptan-4-ol Traditional Name: 5,5,6-trimethyl-1-(1,2,4-triazol-1-yl)heptan-4-ol Formula: C12H23N3O MolecularWeight: 225.33052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C)C(CCCN1C=NC=N1)O

Isomeric SMILES

CC(C)C(C)(C)C(CCCN1C=NC=N1)O

InChI

InChI=1S/C12H23N3O/c1-10(2)12(3,4)11(16)6-5-7-15-9-13-8-14-15/h8-11,16H,5-7H2,1-4H3