[6-azanyl-1-(1,3-benzodioxol-5-yloxy)hexan-3-yl] hypobromite

Systemtic Name: [6-azanyl-1-(1,3-benzodioxol-5-yloxy)hexan-3-yl] hypobromite Openeye Name: [4-amino-1-[2-(1,3-benzodioxol-5-yloxy)ethyl]butyl] hypobromite CAS Name: hypobromous acid [6-amino-1-(1,3-benzodioxol-5-yloxy)hexan-3-yl] ester IUPAC Name: [6-amino-1-(1,3-benzodioxol-5-yloxy)hexan-3-yl] hypobromite Traditional Name: hypobromous acid [4-amino-1-[2-(1,3-benzodioxol-5-yloxy)ethyl]butyl] ester Formula: C13H18BrNO4 MolecularWeight: 332.19032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCCC(CCCN)OBr

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCCC(CCCN)OBr

InChI

InChI=1S/C13H18BrNO4/c14-19-10(2-1-6-15)5-7-16-11-3-4-12-13(8-11)18-9-17-12/h3-4,8,10H,1-2,5-7,9,15H2