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

Systemtic Name: 2-[[5-[2-(4-methylphenyl)sulfonyloxyethylsulfanyl]-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[[5-[2-(p-tolylsulfonyloxy)ethylsulfanyl]-2-thioxo-1,3-dithiol-4-yl]sulfanyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[5-[2-(4-methylphenyl)sulfonyloxyethylthio]-2-sulfanylidene-1,3-dithiol-4-yl]thio]ethyl ester IUPAC Name: 2-[[5-[2-(4-methylphenyl)sulfonyloxyethylsulfanyl]-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[[2-thioxo-5-(2-tosyloxyethylthio)-1,3-dithiol-4-yl]thio]ethyl ester Formula: C21H22O6S7 MolecularWeight: 594.85078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O6S7/c1-15-3-7-17(8-4-15)33(22,23)26-11-13-29-19-20(32-21(28)31-19)30-14-12-27-34(24,25)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3