[(Z)-1-methylsulfanyl-2-phenyl-ethenyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-1-methylsulfanyl-2-phenyl-ethenyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-1-methylsulfanyl-2-phenyl-vinyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-1-(methylthio)-2-phenylethenyl] ester IUPAC Name: [(Z)-1-methylsulfanyl-2-phenylethenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-1-(methylthio)-2-phenyl-vinyl] ester Formula: C16H16O3S2 MolecularWeight: 320.42644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=CC2=CC=CC=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C/C2=CC=CC=C2)/SC

InChI

InChI=1S/C16H16O3S2/c1-13-8-10-15(11-9-13)21(17,18)19-16(20-2)12-14-6-4-3-5-7-14/h3-12H,1-2H3/b16-12-