methyl 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoate

Systemtic Name: methyl 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoate Openeye Name: methyl 2,6-bis(p-tolylsulfonyloxy)hexanoate CAS Name: 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoic acid methyl ester IUPAC Name: methyl 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoate Traditional Name: 2,6-ditosyloxyhexanoic acid methyl ester Formula: C21H26O8S2 MolecularWeight: 470.55634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC(C(=O)OC)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC(C(=O)OC)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H26O8S2/c1-16-7-11-18(12-8-16)30(23,24)28-15-5-4-6-20(21(22)27-3)29-31(25,26)19-13-9-17(2)10-14-19/h7-14,20H,4-6,15H2,1-3H3