bis(2-methylpropyl) 2,5-bis(oxidanyl)-3-(phenylmethyl)sulfonyl-benzene-1,4-dicarboxylate

Systemtic Name: bis(2-methylpropyl) 2,5-bis(oxidanyl)-3-(phenylmethyl)sulfonyl-benzene-1,4-dicarboxylate Openeye Name: diisobutyl 3-benzylsulfonyl-2,5-dihydroxy-benzene-1,4-dicarboxylate CAS Name: 2,5-dihydroxy-3-(phenylmethyl)sulfonylbenzene-1,4-dicarboxylic acid bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) 3-benzylsulfonyl-2,5-dihydroxybenzene-1,4-dicarboxylate Traditional Name: 3-benzylsulfonyl-2,5-dihydroxy-benzene-1,4-dicarboxylic acid diisobutyl ester Formula: C23H28O8S MolecularWeight: 464.52862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC(=C(C(=C1O)S(=O)(=O)CC2=CC=CC=C2)C(=O)OCC(C)C)O

Isomeric SMILES

CC(C)COC(=O)C1=CC(=C(C(=C1O)S(=O)(=O)CC2=CC=CC=C2)C(=O)OCC(C)C)O

InChI

InChI=1S/C23H28O8S/c1-14(2)11-30-22(26)17-10-18(24)19(23(27)31-12-15(3)4)21(20(17)25)32(28,29)13-16-8-6-5-7-9-16/h5-10,14-15,24-25H,11-13H2,1-4H3