(2-oxidanylidene-1,3-benzoxathiol-5-yl) 4-bromanylbenzenesulfonate

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-5-yl) 4-bromanylbenzenesulfonate Openeye Name: (2-oxo-1,3-benzoxathiol-5-yl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-5-yl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (2-keto-1,3-benzoxathiol-5-yl) ester Formula: C13H7BrO5S2 MolecularWeight: 387.22568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)OC2=CC3=C(C=C2)OC(=O)S3)Br

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)OC2=CC3=C(C=C2)OC(=O)S3)Br

InChI

InChI=1S/C13H7BrO5S2/c14-8-1-4-10(5-2-8)21(16,17)19-9-3-6-11-12(7-9)20-13(15)18-11/h1-7H