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

Systemtic Name: 2-[(5-methylsulfanyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(5-methylsulfanyl-2-thioxo-1,3-dithiol-4-yl)sulfanyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[5-(methylthio)-2-sulfanylidene-1,3-dithiol-4-yl]thio]ethyl ester IUPAC Name: 2-[(5-methylsulfanyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[[5-(methylthio)-2-thioxo-1,3-dithiol-4-yl]thio]ethyl ester Formula: C13H14O3S6 MolecularWeight: 410.63846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3S6/c1-9-3-5-10(6-4-9)22(14,15)16-7-8-19-12-11(18-2)20-13(17)21-12/h3-6H,7-8H2,1-2H3