(phenylmethyl) 2,4-bis-(4-methylphenyl)sulfonyloxybutanoate

Systemtic Name: (phenylmethyl) 2,4-bis-(4-methylphenyl)sulfonyloxybutanoate Openeye Name: benzyl 2,4-bis(p-tolylsulfonyloxy)butanoate CAS Name: 2,4-bis-(4-methylphenyl)sulfonyloxybutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2,4-bis-(4-methylphenyl)sulfonyloxybutanoate Traditional Name: 2,4-ditosyloxybutyric acid benzyl ester Formula: C25H26O8S2 MolecularWeight: 518.59914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C(=O)OCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C(=O)OCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H26O8S2/c1-19-8-12-22(13-9-19)34(27,28)32-17-16-24(25(26)31-18-21-6-4-3-5-7-21)33-35(29,30)23-14-10-20(2)11-15-23/h3-15,24H,16-18H2,1-2H3