2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)heptan-3-ol

Systemtic Name: 2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)heptan-3-ol Openeye Name: 2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)heptan-3-ol CAS Name: 2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-3-heptanol IUPAC Name: 2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)heptan-3-ol Traditional Name: 2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)heptan-3-ol Formula: C12H23N3O MolecularWeight: 225.33052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC=N1)(C(C)(C)C)O

Isomeric SMILES

CCCCC(CN1C=NC=N1)(C(C)(C)C)O

InChI

InChI=1S/C12H23N3O/c1-5-6-7-12(16,11(2,3)4)8-15-10-13-9-14-15/h9-10,16H,5-8H2,1-4H3