[4,6-bis(bromanyl)-7-methyl-2-oxidanylidene-1,3-benzoxathiol-5-yl] benzenesulfonate

Systemtic Name: [4,6-bis(bromanyl)-7-methyl-2-oxidanylidene-1,3-benzoxathiol-5-yl] benzenesulfonate Openeye Name: (4,6-dibromo-7-methyl-2-oxo-1,3-benzoxathiol-5-yl) benzenesulfonate CAS Name: benzenesulfonic acid (4,6-dibromo-7-methyl-2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (4,6-dibromo-7-methyl-2-oxo-1,3-benzoxathiol-5-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (4,6-dibromo-2-keto-7-methyl-1,3-benzoxathiol-5-yl) ester Formula: C14H8Br2O5S2 MolecularWeight: 480.14832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1Br)OS(=O)(=O)C3=CC=CC=C3)Br)SC(=O)O2

Isomeric SMILES

CC1=C2C(=C(C(=C1Br)OS(=O)(=O)C3=CC=CC=C3)Br)SC(=O)O2

InChI

InChI=1S/C14H8Br2O5S2/c1-7-9(15)12(10(16)13-11(7)20-14(17)22-13)21-23(18,19)8-5-3-2-4-6-8/h2-6H,1H3