diethyl 2-[[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-[[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]methyl]propanedioate Openeye Name: diethyl 2-[[3-methoxy-4-(p-tolylsulfonyloxy)phenyl]methyl]propanedioate CAS Name: 2-[[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]methyl]propanedioate Traditional Name: 2-(3-methoxy-4-tosyloxy-benzyl)malonic acid diethyl ester Formula: C22H26O8S MolecularWeight: 450.50204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)OC)C(=O)OCC

InChI

InChI=1S/C22H26O8S/c1-5-28-21(23)18(22(24)29-6-2)13-16-9-12-19(20(14-16)27-4)30-31(25,26)17-10-7-15(3)8-11-17/h7-12,14,18H,5-6,13H2,1-4H3