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

Systemtic Name: 2-(5-methylsulfanyl-2-sulfanylidene-1,3-dithiol-4-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(5-methylsulfanyl-2-thioxo-1,3-dithiol-4-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[5-(methylthio)-2-sulfanylidene-1,3-dithiol-4-yl]ethyl ester IUPAC Name: 2-(5-methylsulfanyl-2-sulfanylidene-1,3-dithiol-4-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[5-(methylthio)-2-thioxo-1,3-dithiol-4-yl]ethyl ester Formula: C13H14O3S5 MolecularWeight: 378.57346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C(SC(=S)S2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C(SC(=S)S2)SC

InChI

InChI=1S/C13H14O3S5/c1-9-3-5-10(6-4-9)21(14,15)16-8-7-11-12(18-2)20-13(17)19-11/h3-6H,7-8H2,1-2H3