methyl 3-[(4-methylphenyl)sulfonylsulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(4-methylphenyl)sulfonylsulfanylmethyl]benzoate Openeye Name: methyl 3-(p-tolylsulfonylsulfanylmethyl)benzoate CAS Name: 3-[[(4-methylphenyl)sulfonylthio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methylphenyl)sulfonylsulfanylmethyl]benzoate Traditional Name: 3-[(tosylthio)methyl]benzoic acid methyl ester Formula: C16H16O4S2 MolecularWeight: 336.42584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C16H16O4S2/c1-12-6-8-15(9-7-12)22(18,19)21-11-13-4-3-5-14(10-13)16(17)20-2/h3-10H,11H2,1-2H3