S-[3-[3-[3-(4-methylsulfanylphenyl)carbonylsulfanyl-2-oxidanyl-propoxy]phenoxy]-2-oxidanyl-propyl] 4-methylsulfanylbenzenecarbothioate

Systemtic Name: S-[3-[3-[3-(4-methylsulfanylphenyl)carbonylsulfanyl-2-oxidanyl-propoxy]phenoxy]-2-oxidanyl-propyl] 4-methylsulfanylbenzenecarbothioate Openeye Name: S-[2-hydroxy-3-[3-[2-hydroxy-3-(4-methylsulfanylbenzoyl)sulfanyl-propoxy]phenoxy]propyl] 4-methylsulfanylbenzenecarbothioate CAS Name: 4-(methylthio)benzenecarbothioic acid S-[2-hydroxy-3-[3-[2-hydroxy-3-[[[4-(methylthio)phenyl]-oxomethyl]thio]propoxy]phenoxy]propyl] ester IUPAC Name: S-[2-hydroxy-3-[3-[2-hydroxy-3-(4-methylsulfanylbenzoyl)sulfanylpropoxy]phenoxy]propyl] 4-methylsulfanylbenzenecarbothioate Traditional Name: 4-(methylthio)thiobenzoic acid S-[2-hydroxy-3-[3-[2-hydroxy-3-[[4-(methylthio)benzoyl]thio]propoxy]phenoxy]propyl] ester Formula: C28H30O6S4 MolecularWeight: 590.7942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)SCC(COC2=CC(=CC=C2)OCC(CSC(=O)C3=CC=C(C=C3)SC)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)SCC(COC2=CC(=CC=C2)OCC(CSC(=O)C3=CC=C(C=C3)SC)O)O

InChI

InChI=1S/C28H30O6S4/c1-35-25-10-6-19(7-11-25)27(31)37-17-21(29)15-33-23-4-3-5-24(14-23)34-16-22(30)18-38-28(32)20-8-12-26(36-2)13-9-20/h3-14,21-22,29-30H,15-18H2,1-2H3