(phenylmethyl) 2,5-bis-(4-methylphenyl)sulfonyloxypentanoate

Systemtic Name: (phenylmethyl) 2,5-bis-(4-methylphenyl)sulfonyloxypentanoate Openeye Name: benzyl 2,5-bis(p-tolylsulfonyloxy)pentanoate CAS Name: 2,5-bis-(4-methylphenyl)sulfonyloxypentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2,5-bis-(4-methylphenyl)sulfonyloxypentanoate Traditional Name: 2,5-ditosyloxyvaleric acid benzyl ester Formula: C26H28O8S2 MolecularWeight: 532.62572

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H28O8S2/c1-20-10-14-23(15-11-20)35(28,29)33-18-6-9-25(26(27)32-19-22-7-4-3-5-8-22)34-36(30,31)24-16-12-21(2)13-17-24/h3-5,7-8,10-17,25H,6,9,18-19H2,1-2H3