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

Systemtic Name: dibutyl 3-(4-bromophenyl)sulfonyl-2,5-bis(oxidanyl)benzene-1,4-dicarboxylate Openeye Name: dibutyl 3-(4-bromophenyl)sulfonyl-2,5-dihydroxy-benzene-1,4-dicarboxylate CAS Name: 3-(4-bromophenyl)sulfonyl-2,5-dihydroxybenzene-1,4-dicarboxylic acid dibutyl ester IUPAC Name: dibutyl 3-(4-bromophenyl)sulfonyl-2,5-dihydroxybenzene-1,4-dicarboxylate Traditional Name: 3-brosyl-2,5-dihydroxy-benzene-1,4-dicarboxylic acid dibutyl ester Formula: C22H25BrO8S MolecularWeight: 529.3981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrO8S/c1-3-5-11-30-21(26)16-13-17(24)18(22(27)31-12-6-4-2)20(19(16)25)32(28,29)15-9-7-14(23)8-10-15/h7-10,13,24-25H,3-6,11-12H2,1-2H3