[2,2-dimethyl-7-(4-methylphenyl)sulfonyloxy-4-oxidanylidene-3H-chromen-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [2,2-dimethyl-7-(4-methylphenyl)sulfonyloxy-4-oxidanylidene-3H-chromen-6-yl] 4-methylbenzenesulfonate Openeye Name: [2,2-dimethyl-4-oxo-7-(p-tolylsulfonyloxy)chroman-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,2-dimethyl-7-(4-methylphenyl)sulfonyloxy-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2,2-dimethyl-7-(4-methylphenyl)sulfonyloxy-4-oxo-3H-chromen-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-keto-2,2-dimethyl-7-tosyloxy-chroman-6-yl) ester Formula: C25H24O8S2 MolecularWeight: 516.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C(=C2)C(=O)CC(O3)(C)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C(=C2)C(=O)CC(O3)(C)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H24O8S2/c1-16-5-9-18(10-6-16)34(27,28)32-23-13-20-21(26)15-25(3,4)31-22(20)14-24(23)33-35(29,30)19-11-7-17(2)8-12-19/h5-14H,15H2,1-4H3