[1,1,5,5-tetradeuterio-5-(4-methylphenyl)sulfonyloxy-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [1,1,5,5-tetradeuterio-5-(4-methylphenyl)sulfonyloxy-pentyl] 4-methylbenzenesulfonate Openeye Name: [1,1,5,5-tetradeuterio-5-(p-tolylsulfonyloxy)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1,1,5,5-tetradeuterio-5-(4-methylphenyl)sulfonyloxypentyl] ester IUPAC Name: [1,1,5,5-tetradeuterio-5-(4-methylphenyl)sulfonyloxypentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1,1,5,5-tetradeuterio-5-tosyloxy-pentyl) ester Formula: C19H24O6S2 MolecularWeight: 416.544907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

[2H]C([2H])(CCCC([2H])([2H])OS(=O)(=O)C1=CC=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H24O6S2/c1-16-6-10-18(11-7-16)26(20,21)24-14-4-3-5-15-25-27(22,23)19-12-8-17(2)9-13-19/h6-13H,3-5,14-15H2,1-2H3/i14D2,15D2