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

Systemtic Name: 2-(bromomethyl)-6-(3-methylbutyl)-3H-1,4-benzodioxin-2-ol Openeye Name: 2-(bromomethyl)-6-isopentyl-3H-1,4-benzodioxin-2-ol CAS Name: 2-(bromomethyl)-6-(3-methylbutyl)-3H-1,4-benzodioxin-2-ol IUPAC Name: 2-(bromomethyl)-6-(3-methylbutyl)-3H-1,4-benzodioxin-2-ol Traditional Name: 2-(bromomethyl)-6-isoamyl-3H-1,4-benzodioxin-2-ol Formula: C14H19BrO3 MolecularWeight: 315.20286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC2=C(C=C1)OC(CO2)(CBr)O

Isomeric SMILES

CC(C)CCC1=CC2=C(C=C1)OC(CO2)(CBr)O

InChI

InChI=1S/C14H19BrO3/c1-10(2)3-4-11-5-6-12-13(7-11)17-9-14(16,8-15)18-12/h5-7,10,16H,3-4,8-9H2,1-2H3