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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O3/c1-14(2,7-19)12(20)13(18-9-16-8-17-18)21-11-5-3-10(15)4-6-11/h3-6,8-9,12-13,19-20H,7H2,1-2H3