4-[2-(4-methylphenyl)sulfanylethylsulfanyl]benzoic acid

Systemtic Name: 4-[2-(4-methylphenyl)sulfanylethylsulfanyl]benzoic acid Openeye Name: 4-[2-(p-tolylsulfanyl)ethylsulfanyl]benzoic acid CAS Name: 4-[2-[(4-methylphenyl)thio]ethylthio]benzoic acid IUPAC Name: 4-[2-(4-methylphenyl)sulfanylethylsulfanyl]benzoic acid Traditional Name: 4-[2-(p-tolylthio)ethylthio]benzoic acid Formula: C16H16O2S2 MolecularWeight: 304.42704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H16O2S2/c1-12-2-6-14(7-3-12)19-10-11-20-15-8-4-13(5-9-15)16(17)18/h2-9H,10-11H2,1H3,(H,17,18)