5-[(3-bromophenyl)methyl]-2,2-dimethyl-1,3-dioxane

Systemtic Name: 5-[(3-bromophenyl)methyl]-2,2-dimethyl-1,3-dioxane Openeye Name: 5-[(3-bromophenyl)methyl]-2,2-dimethyl-1,3-dioxane CAS Name: 5-[(3-bromophenyl)methyl]-2,2-dimethyl-1,3-dioxane IUPAC Name: 5-[(3-bromophenyl)methyl]-2,2-dimethyl-1,3-dioxane Traditional Name: 5-(3-bromobenzyl)-2,2-dimethyl-1,3-dioxane Formula: C13H17BrO2 MolecularWeight: 285.17688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CC2=CC(=CC=C2)Br)C

Isomeric SMILES

CC1(OCC(CO1)CC2=CC(=CC=C2)Br)C

InChI

InChI=1S/C13H17BrO2/c1-13(2)15-8-11(9-16-13)6-10-4-3-5-12(14)7-10/h3-5,7,11H,6,8-9H2,1-2H3