7-(4-chloranylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)heptan-3-ol

Systemtic Name: 7-(4-chloranylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)heptan-3-ol Openeye Name: 7-(4-chlorophenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)heptan-3-ol CAS Name: 7-(4-chlorophenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)-3-heptanol IUPAC Name: 7-(4-chlorophenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)heptan-3-ol Traditional Name: 7-(4-chlorophenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)heptan-3-ol Formula: C17H24ClN3O2 MolecularWeight: 337.84436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(CCCOC1=CC=C(C=C1)Cl)N2C=NC=N2)O

Isomeric SMILES

CC(C)(C)C(C(CCCOC1=CC=C(C=C1)Cl)N2C=NC=N2)O

InChI

InChI=1S/C17H24ClN3O2/c1-17(2,3)16(22)15(21-12-19-11-20-21)5-4-10-23-14-8-6-13(18)7-9-14/h6-9,11-12,15-16,22H,4-5,10H2,1-3H3