3-[4,5-dicyano-2-[3-(4-methylphenyl)sulfonyloxypropylsulfanyl]phenyl]sulfanylpropyl 4-methylbenzenesulfonate

Systemtic Name: 3-[4,5-dicyano-2-[3-(4-methylphenyl)sulfonyloxypropylsulfanyl]phenyl]sulfanylpropyl 4-methylbenzenesulfonate Openeye Name: 3-[4,5-dicyano-2-[3-(p-tolylsulfonyloxy)propylsulfanyl]phenyl]sulfanylpropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[[4,5-dicyano-2-[3-(4-methylphenyl)sulfonyloxypropylthio]phenyl]thio]propyl ester IUPAC Name: 3-[4,5-dicyano-2-[3-(4-methylphenyl)sulfonyloxypropylsulfanyl]phenyl]sulfanylpropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[[4,5-dicyano-2-(3-tosyloxypropylthio)phenyl]thio]propyl ester Formula: C28H28N2O6S4 MolecularWeight: 616.79172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCSC2=C(C=C(C(=C2)C#N)C#N)SCCCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCSC2=C(C=C(C(=C2)C#N)C#N)SCCCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H28N2O6S4/c1-21-5-9-25(10-6-21)39(31,32)35-13-3-15-37-27-17-23(19-29)24(20-30)18-28(27)38-16-4-14-36-40(33,34)26-11-7-22(2)8-12-26/h5-12,17-18H,3-4,13-16H2,1-2H3