diethyl 2,5-bis(oxidanyl)-3-phenethylsulfonyl-benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2,5-bis(oxidanyl)-3-phenethylsulfonyl-benzene-1,4-dicarboxylate Openeye Name: diethyl 2,5-dihydroxy-3-phenethylsulfonyl-benzene-1,4-dicarboxylate CAS Name: 2,5-dihydroxy-3-phenethylsulfonylbenzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-dihydroxy-3-phenethylsulfonylbenzene-1,4-dicarboxylate Traditional Name: 2,5-dihydroxy-3-phenethylsulfonyl-benzene-1,4-dicarboxylic acid diethyl ester Formula: C20H22O8S MolecularWeight: 422.44888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1O)S(=O)(=O)CCC2=CC=CC=C2)C(=O)OCC)O

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1O)S(=O)(=O)CCC2=CC=CC=C2)C(=O)OCC)O

InChI

InChI=1S/C20H22O8S/c1-3-27-19(23)14-12-15(21)16(20(24)28-4-2)18(17(14)22)29(25,26)11-10-13-8-6-5-7-9-13/h5-9,12,21-22H,3-4,10-11H2,1-2H3