(6-bromanyl-2-oxidanylidene-1,3-benzoxathiol-5-yl) benzenesulfonate

Systemtic Name: (6-bromanyl-2-oxidanylidene-1,3-benzoxathiol-5-yl) benzenesulfonate Openeye Name: (6-bromo-2-oxo-1,3-benzoxathiol-5-yl) benzenesulfonate CAS Name: benzenesulfonic acid (6-bromo-2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (6-bromo-2-oxo-1,3-benzoxathiol-5-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (6-bromo-2-keto-1,3-benzoxathiol-5-yl) ester Formula: C13H7BrO5S2 MolecularWeight: 387.22568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C(=C2)SC(=O)O3)Br

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C(=C2)SC(=O)O3)Br

InChI

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