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

Systemtic Name: (4-methyl-2-oxidanylidene-7-propan-2-yl-1,3-benzoxathiol-5-yl) benzenesulfonate Openeye Name: (7-isopropyl-4-methyl-2-oxo-1,3-benzoxathiol-5-yl) benzenesulfonate CAS Name: benzenesulfonic acid (4-methyl-2-oxo-7-propan-2-yl-1,3-benzoxathiol-5-yl) ester IUPAC Name: (4-methyl-2-oxo-7-propan-2-yl-1,3-benzoxathiol-5-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (7-isopropyl-2-keto-4-methyl-1,3-benzoxathiol-5-yl) ester Formula: C17H16O5S2 MolecularWeight: 364.43594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1SC(=O)O2)C(C)C)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C2=C1SC(=O)O2)C(C)C)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16O5S2/c1-10(2)13-9-14(11(3)16-15(13)21-17(18)23-16)22-24(19,20)12-7-5-4-6-8-12/h4-10H,1-3H3