(7-methyl-2-oxidanylidene-1,3-benzoxathiol-5-yl) benzenesulfonate

Systemtic Name: (7-methyl-2-oxidanylidene-1,3-benzoxathiol-5-yl) benzenesulfonate Openeye Name: (7-methyl-2-oxo-1,3-benzoxathiol-5-yl) benzenesulfonate CAS Name: benzenesulfonic acid (7-methyl-2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (7-methyl-2-oxo-1,3-benzoxathiol-5-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (2-keto-7-methyl-1,3-benzoxathiol-5-yl) ester Formula: C14H10O5S2 MolecularWeight: 322.3562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1OC(=O)S2)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC2=C1OC(=O)S2)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H10O5S2/c1-9-7-10(8-12-13(9)18-14(15)20-12)19-21(16,17)11-5-3-2-4-6-11/h2-8H,1H3