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

Systemtic Name: phenyl 2,5-bis-(4-methylphenyl)sulfonyloxypentanoate Openeye Name: phenyl 2,5-bis(p-tolylsulfonyloxy)pentanoate CAS Name: 2,5-bis-(4-methylphenyl)sulfonyloxypentanoic acid phenyl ester IUPAC Name: phenyl 2,5-bis-(4-methylphenyl)sulfonyloxypentanoate Traditional Name: 2,5-ditosyloxyvaleric acid phenyl ester Formula: C25H26O8S2 MolecularWeight: 518.59914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C(=O)OC2=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)OC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

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