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

Systemtic Name: [4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-6,8-dioxabicyclo[3.2.1]octan-2-yl] 4-methylbenzenesulfonate Openeye Name: [3-oxo-4-(p-tolylsulfonyloxy)-6,8-dioxabicyclo[3.2.1]octan-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-methylphenyl)sulfonyloxy-3-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl] ester IUPAC Name: [4-(4-methylphenyl)sulfonyloxy-3-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-keto-4-tosyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl) ester Formula: C20H20O9S2 MolecularWeight: 468.4974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3COC(O3)C(C2=O)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C3COC(O3)C(C2=O)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C20H20O9S2/c1-12-3-7-14(8-4-12)30(22,23)28-18-16-11-26-20(27-16)19(17(18)21)29-31(24,25)15-9-5-13(2)6-10-15/h3-10,16,18-20H,11H2,1-2H3