[5-(4-methylphenyl)sulfonyloxy-3-(phenylmethyl)pentyl] 4-methylbenzenesulfonate

Systemtic Name: [5-(4-methylphenyl)sulfonyloxy-3-(phenylmethyl)pentyl] 4-methylbenzenesulfonate Openeye Name: [3-benzyl-5-(p-tolylsulfonyloxy)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(4-methylphenyl)sulfonyloxy-3-(phenylmethyl)pentyl] ester IUPAC Name: [3-benzyl-5-(4-methylphenyl)sulfonyloxypentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-benzyl-5-tosyloxy-pentyl) ester Formula: C26H30O6S2 MolecularWeight: 502.6428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CCOS(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CCOS(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3

InChI

InChI=1S/C26H30O6S2/c1-21-8-12-25(13-9-21)33(27,28)31-18-16-24(20-23-6-4-3-5-7-23)17-19-32-34(29,30)26-14-10-22(2)11-15-26/h3-15,24H,16-20H2,1-2H3