2-(bromomethyl)-6-(4-methylpentyl)-3H-1,4-benzodioxin-2-ol

Systemtic Name: 2-(bromomethyl)-6-(4-methylpentyl)-3H-1,4-benzodioxin-2-ol Openeye Name: 2-(bromomethyl)-6-isohexyl-3H-1,4-benzodioxin-2-ol CAS Name: 2-(bromomethyl)-6-(4-methylpentyl)-3H-1,4-benzodioxin-2-ol IUPAC Name: 2-(bromomethyl)-6-(4-methylpentyl)-3H-1,4-benzodioxin-2-ol Traditional Name: 2-(bromomethyl)-6-isohexyl-3H-1,4-benzodioxin-2-ol Formula: C15H21BrO3 MolecularWeight: 329.22944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1=CC2=C(C=C1)OC(CO2)(CBr)O

Isomeric SMILES

CC(C)CCCC1=CC2=C(C=C1)OC(CO2)(CBr)O

InChI

InChI=1S/C15H21BrO3/c1-11(2)4-3-5-12-6-7-13-14(8-12)18-10-15(17,9-16)19-13/h6-8,11,17H,3-5,9-10H2,1-2H3