3-(1-bromanylheptyl)benzene-1,2-diolate

Systemtic Name: 3-(1-bromanylheptyl)benzene-1,2-diolate Openeye Name: 3-(1-bromoheptyl)benzene-1,2-diolate CAS Name: 3-(1-bromoheptyl)benzene-1,2-diolate IUPAC Name: 3-(1-bromoheptyl)benzene-1,2-diolate Traditional Name: 3-(1-bromoheptyl)benzene-1,2-diolate Formula: C13H17BrO2-2 MolecularWeight: 285.17688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=C(C(=CC=C1)[O-])[O-])Br

Isomeric SMILES

CCCCCCC(C1=C(C(=CC=C1)[O-])[O-])Br

InChI

InChI=1S/C13H19BrO2/c1-2-3-4-5-8-11(14)10-7-6-9-12(15)13(10)16/h6-7,9,11,15-16H,2-5,8H2,1H3/p-2