[6-[(4-methylphenyl)sulfonyloxymethyl]-4-oxidanylidene-pyran-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [6-[(4-methylphenyl)sulfonyloxymethyl]-4-oxidanylidene-pyran-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [4-oxo-6-(p-tolylsulfonyloxymethyl)pyran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-[(4-methylphenyl)sulfonyloxymethyl]-4-oxo-2-pyranyl]methyl ester IUPAC Name: [6-[(4-methylphenyl)sulfonyloxymethyl]-4-oxopyran-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-keto-6-(tosyloxymethyl)pyran-2-yl]methyl ester Formula: C21H20O8S2 MolecularWeight: 464.5087

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=O)C=C(O2)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=O)C=C(O2)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H20O8S2/c1-15-3-7-20(8-4-15)30(23,24)27-13-18-11-17(22)12-19(29-18)14-28-31(25,26)21-9-5-16(2)6-10-21/h3-12H,13-14H2,1-2H3