5,5-dimethyl-3-oxidanyl-1-phenyl-2-(1,2,4-triazol-1-yl)hexane-1,4-dione

Systemtic Name: 5,5-dimethyl-3-oxidanyl-1-phenyl-2-(1,2,4-triazol-1-yl)hexane-1,4-dione Openeye Name: 3-hydroxy-5,5-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)hexane-1,4-dione CAS Name: 3-hydroxy-5,5-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)hexane-1,4-dione IUPAC Name: 3-hydroxy-5,5-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)hexane-1,4-dione Traditional Name: 3-hydroxy-5,5-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)hexane-1,4-dione Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3/c1-16(2,3)15(22)14(21)12(19-10-17-9-18-19)13(20)11-7-5-4-6-8-11/h4-10,12,14,21H,1-3H3