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The molecular formula is C18H22O5S2.
The synonym for (S)-1,4-Ditosyl-2-butanol is 99520-82-8.
The molecular weight is 382.5 g/mol.
The IUPAC name is (2S)-1,4-bis-(4-methylphenyl)sulfonylbutan-2-ol.
The InChI is InChI=1S/C18H22O5S2/c1-14-3-7-17(8-4-14)24(20,21)12-11-16(19)13-25(22,23)18-9-5-15(2)6-10-18/h3-10,16,19H,11-13H2,1-2H3/t16-/m0/s1.
The InChIKey is GUCGUVWRKROEGE-INIZCTEOSA-N.
The canonical SMILES is CC1=CC=C(C=C1)S(=O)(=O)CCC(CS(=O)(=O)C2=CC=C(C=C2)C)O.
The isomeric SMILES is CC1=CC=C(C=C1)S(=O)(=O)CC[C@@H](CS(=O)(=O)C2=CC=C(C=C2)C)O.
The XLogP3-AA value is 2.6.
Yes, (S)-1,4-Ditosyl-2-butanol is a canonicalized compound.
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