6-(4-tert-butylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)hexan-3-ol

Systemtic Name: 6-(4-tert-butylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)hexan-3-ol Openeye Name: 6-(4-tert-butylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)hexan-3-ol CAS Name: 6-(4-tert-butylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)-3-hexanol IUPAC Name: 6-(4-tert-butylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)hexan-3-ol Traditional Name: 6-(4-tert-butylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)hexan-3-ol Formula: C20H31N3O2 MolecularWeight: 345.47904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCC(C(C(C)(C)C)O)N2C=NC=N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCC(C(C(C)(C)C)O)N2C=NC=N2

InChI

InChI=1S/C20H31N3O2/c1-19(2,3)15-7-9-16(10-8-15)25-12-11-17(18(24)20(4,5)6)23-14-21-13-22-23/h7-10,13-14,17-18,24H,11-12H2,1-6H3