[1,6-dicyano-4-(4-methylphenyl)sulfonyloxy-hexan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [1,6-dicyano-4-(4-methylphenyl)sulfonyloxy-hexan-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-cyano-1-(2-cyanoethyl)-2-(p-tolylsulfonyloxy)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1,6-dicyano-4-(4-methylphenyl)sulfonyloxyhexan-3-yl] ester IUPAC Name: [1,6-dicyano-4-(4-methylphenyl)sulfonyloxyhexan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-cyano-1-(2-cyanoethyl)-2-tosyloxy-butyl] ester Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCC#N)C(CCC#N)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CCC#N)C(CCC#N)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H24N2O6S2/c1-17-7-11-19(12-8-17)31(25,26)29-21(5-3-15-23)22(6-4-16-24)30-32(27,28)20-13-9-18(2)10-14-20/h7-14,21-22H,3-6H2,1-2H3