dibutyl 2,5-bis(oxidanyl)-3-(phenylsulfonyl)benzene-1,4-dicarboxylate

Systemtic Name: dibutyl 2,5-bis(oxidanyl)-3-(phenylsulfonyl)benzene-1,4-dicarboxylate Openeye Name: dibutyl 3-(benzenesulfonyl)-2,5-dihydroxy-benzene-1,4-dicarboxylate CAS Name: 3-(benzenesulfonyl)-2,5-dihydroxybenzene-1,4-dicarboxylic acid dibutyl ester IUPAC Name: dibutyl 3-(benzenesulfonyl)-2,5-dihydroxybenzene-1,4-dicarboxylate Traditional Name: 3-besyl-2,5-dihydroxy-benzene-1,4-dicarboxylic acid dibutyl ester Formula: C22H26O8S MolecularWeight: 450.50204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=C(C(=C1O)S(=O)(=O)C2=CC=CC=C2)C(=O)OCCCC)O

Isomeric SMILES

CCCCOC(=O)C1=CC(=C(C(=C1O)S(=O)(=O)C2=CC=CC=C2)C(=O)OCCCC)O

InChI

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