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

Systemtic Name: [3-ethyl-5-(4-methylphenyl)sulfonyloxy-pentyl] 4-methylbenzenesulfonate Openeye Name: [3-ethyl-5-(p-tolylsulfonyloxy)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-ethyl-5-(4-methylphenyl)sulfonyloxypentyl] ester IUPAC Name: [3-ethyl-5-(4-methylphenyl)sulfonyloxypentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-ethyl-5-tosyloxy-pentyl) ester Formula: C21H28O6S2 MolecularWeight: 440.57342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCOS(=O)(=O)C1=CC=C(C=C1)C)CCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(CCOS(=O)(=O)C1=CC=C(C=C1)C)CCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H28O6S2/c1-4-19(13-15-26-28(22,23)20-9-5-17(2)6-10-20)14-16-27-29(24,25)21-11-7-18(3)8-12-21/h5-12,19H,4,13-16H2,1-3H3