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

Systemtic Name: 2-(bromomethyl)-6-butyl-3H-1,4-benzodioxin-2-ol Openeye Name: 2-(bromomethyl)-6-butyl-3H-1,4-benzodioxin-2-ol CAS Name: 2-(bromomethyl)-6-butyl-3H-1,4-benzodioxin-2-ol IUPAC Name: 2-(bromomethyl)-6-butyl-3H-1,4-benzodioxin-2-ol Traditional Name: 2-(bromomethyl)-6-butyl-3H-1,4-benzodioxin-2-ol Formula: C13H17BrO3 MolecularWeight: 301.17628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)OC(CO2)(CBr)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)OC(CO2)(CBr)O

InChI

InChI=1S/C13H17BrO3/c1-2-3-4-10-5-6-11-12(7-10)16-9-13(15,8-14)17-11/h5-7,15H,2-4,8-9H2,1H3