2-[[5-[2-(4-methylphenyl)sulfonyloxyethylsulfanyl]-2-oxidanylidene-1,3-dithiol-4-yl]sulfanyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[[5-[2-(4-methylphenyl)sulfonyloxyethylsulfanyl]-2-oxidanylidene-1,3-dithiol-4-yl]sulfanyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[[2-oxo-5-[2-(p-tolylsulfonyloxy)ethylsulfanyl]-1,3-dithiol-4-yl]sulfanyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[5-[2-(4-methylphenyl)sulfonyloxyethylthio]-2-oxo-1,3-dithiol-4-yl]thio]ethyl ester IUPAC Name: 2-[[5-[2-(4-methylphenyl)sulfonyloxyethylsulfanyl]-2-oxo-1,3-dithiol-4-yl]sulfanyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[[2-keto-5-(2-tosyloxyethylthio)-1,3-dithiol-4-yl]thio]ethyl ester Formula: C21H22O7S6 MolecularWeight: 578.78518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCSC2=C(SC(=O)S2)SCCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCSC2=C(SC(=O)S2)SCCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22O7S6/c1-15-3-7-17(8-4-15)33(23,24)27-11-13-29-19-20(32-21(22)31-19)30-14-12-28-34(25,26)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3