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

Systemtic Name: [2,3-dimethyl-7-(4-methylphenyl)sulfonyloxy-4-oxidanylidene-chromen-6-yl] 4-methylbenzenesulfonate Openeye Name: [2,3-dimethyl-4-oxo-7-(p-tolylsulfonyloxy)chromen-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,3-dimethyl-7-(4-methylphenyl)sulfonyloxy-4-oxo-1-benzopyran-6-yl] ester IUPAC Name: [2,3-dimethyl-7-(4-methylphenyl)sulfonyloxy-4-oxochromen-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-keto-2,3-dimethyl-7-tosyloxy-chromen-6-yl) ester Formula: C25H22O8S2 MolecularWeight: 514.56738

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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)C(=C(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)C(=C(O3)C)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H22O8S2/c1-15-5-9-19(10-6-15)34(27,28)32-23-13-21-22(31-18(4)17(3)25(21)26)14-24(23)33-35(29,30)20-11-7-16(2)8-12-20/h5-14H,1-4H3