methyl 4-methylsulfanyl-2-(methylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-methylsulfanyl-2-(methylsulfanylmethyl)benzoate Openeye Name: methyl 4-methylsulfanyl-2-(methylsulfanylmethyl)benzoate CAS Name: 4-(methylthio)-2-[(methylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-(methylsulfanylmethyl)benzoate Traditional Name: 4-(methylthio)-2-[(methylthio)methyl]benzoic acid methyl ester Formula: C11H14O2S2 MolecularWeight: 242.35766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)SC)CSC

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)SC)CSC

InChI

InChI=1S/C11H14O2S2/c1-13-11(12)10-5-4-9(15-3)6-8(10)7-14-2/h4-6H,7H2,1-3H3