(7-methyl-2-oxidanylidene-4-propan-2-yl-1,3-benzoxathiol-6-yl) benzenesulfonate

Systemtic Name: (7-methyl-2-oxidanylidene-4-propan-2-yl-1,3-benzoxathiol-6-yl) benzenesulfonate Openeye Name: (4-isopropyl-7-methyl-2-oxo-1,3-benzoxathiol-6-yl) benzenesulfonate CAS Name: benzenesulfonic acid (7-methyl-2-oxo-4-propan-2-yl-1,3-benzoxathiol-6-yl) ester IUPAC Name: (7-methyl-2-oxo-4-propan-2-yl-1,3-benzoxathiol-6-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-isopropyl-2-keto-7-methyl-1,3-benzoxathiol-6-yl) ester Formula: C17H16O5S2 MolecularWeight: 364.43594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1OC(=O)S2)C(C)C)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C2=C1OC(=O)S2)C(C)C)OS(=O)(=O)C3=CC=CC=C3

InChI

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