(3-oxidanylidene-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanylidene-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl) 4-methylbenzenesulfonate Openeye Name: (2-benzyloxy-3-oxo-6,8-dioxabicyclo[3.2.1]octan-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-oxo-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl) ester IUPAC Name: (3-oxo-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-benzoxy-3-keto-6,8-dioxabicyclo[3.2.1]octan-4-yl) ester Formula: C20H20O7S MolecularWeight: 404.4336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3OCC(O3)C(C2=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C3OCC(O3)C(C2=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H20O7S/c1-13-7-9-15(10-8-13)28(22,23)27-19-17(21)18(16-12-25-20(19)26-16)24-11-14-5-3-2-4-6-14/h2-10,16,18-20H,11-12H2,1H3