1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-2,2-diol

Systemtic Name: 1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-2,2-diol Openeye Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-2,2-diol CAS Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-2,2-diol IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-2,2-diol Traditional Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-2,2-diol Formula: C14H18ClN3O3 MolecularWeight: 311.76402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)(O)O

Isomeric SMILES

CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)(O)O

InChI

InChI=1S/C14H18ClN3O3/c1-13(2,3)14(19,20)12(18-9-16-8-17-18)21-11-6-4-10(15)5-7-11/h4-9,12,19-20H,1-3H3