2-(4-bromanyl-3-methyl-phenyl)-5,5-dimethyl-1,3-dioxane

Systemtic Name: 2-(4-bromanyl-3-methyl-phenyl)-5,5-dimethyl-1,3-dioxane Openeye Name: 2-(4-bromo-3-methyl-phenyl)-5,5-dimethyl-1,3-dioxane CAS Name: 2-(4-bromo-3-methylphenyl)-5,5-dimethyl-1,3-dioxane IUPAC Name: 2-(4-bromo-3-methylphenyl)-5,5-dimethyl-1,3-dioxane Traditional Name: 2-(4-bromo-3-methyl-phenyl)-5,5-dimethyl-1,3-dioxane Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2OCC(CO2)(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2OCC(CO2)(C)C)Br

InChI

InChI=1S/C13H17BrO2/c1-9-6-10(4-5-11(9)14)12-15-7-13(2,3)8-16-12/h4-6,12H,7-8H2,1-3H3